不饱和分子高压聚合和性能研究

  不饱和分子通常指分子中含有碳碳双键或三键等高键能的p键化合物，其中的π键含有不稳定的p轨道电子，容易在高压下发生聚合，促进新材料的合成和应用。根据不饱和键的键能大小及在不同分子体系中的性能表现，高压下的不饱和分子可分为含能分子和发光分子。含能分子是指只含有纯高键能的不饱和分子。此类分子在高温高压（>50 GPa）下，所受到的压缩能（几百kJ/mol）接近最稳定分子的键能，可以使原料的化学键发生断裂，合成新型含能材料。如合成金属氢、聚合氮和聚合一氧化碳等。然而，含能分子在高压下通常生成亚稳态非晶混合物，难以合成稳态或晶态的聚合产物，不利于分析高压下的结构变化和聚合产物。不饱和发光分子是指以苯环和碳碳双键等基团构成的共轭分子，其中的共轭基团易产生会发光的π*→π跃迁。由于电子动能比静电势能具有更高的密度依赖性，而高压可以连续可调的增加电子云密度，因此高压是调控此类分子发光颜色和光强的有效手段。并且当压力在5-20 GPa时，分子间C···C原子间会距缩短至2.8-3.1 Å，不饱和分子由于电子离域增强而变得不稳定，会发生相变或聚合反应，进而导致材料发光性能的突变。然而，此类分子结构通常为单斜晶系，高压样品少且容易无定形化，导致结构分析难度较大，往往需要结合理论计算辅助解决结构分析，进而推测发光性能变化的具体原因。

  因此，本论文针对研究含能分子的问题，通过光谱和衍射研究CO、CO+N₂和N₂O等，几种具有纯高键能的不饱和分子在高压下的结构变化，以及如何在高温高压下合成稳态或晶态聚合产物。1. CO：CO在6.5 GPa发生聚合，并在8 GPa完成。在0-50 GPa, CO和CO+C在高压和高温（≤400 ℃）高压时均未得到晶态聚合产物，但高温辅助会提升产物的稳定性。纯CO形成的聚合产物接触空气会和水反应，生成羟基化合物。最后，我们给出了PE压机合成毫克级p-CO聚合产物的实验条件，该聚合产物加热到150 ℃会完全分解为纯无定形碳。2. N₂O：N₂O在4.2 GPa为Pa3 相，在7.3 GPa发生分解，即2N₂O→2N₂+O₂，对应相变为Cmca相。在32.2-46.6 GPa时N₂与O原子发生聚合反应，生成NO₂。降压后变回Pa3 相，表明纯加压过程发生可逆相变。在30.2 GP-150 ℃，不能形成更加稳定的固态聚合产物。在46.5 GPa-1100 K，样品发生不可逆聚合反应，形成更稳定的-N-O-链状聚合产物。3. CO+N₂：N₂:CO=1:1的聚合发生在~14 GPa，而N₂:CO=1:2在~8 GPa，产物均为无定形。CO的聚合会产生活性位点诱导N₂发生反应，并且混合物中CO含量比例越高，N₂聚合压力越低，N₂参与反应比例越高。对49.8 GPa的混合分子通过532 nm-64 mW激光辐照，会促使部分氮气分子与CO发生了更进一步的聚合反应。但在49.8 GPa使用激光加热至1360 K，未能生成晶态产物。

  同时，对于研究发光分子的问题，本文对比研究了TPEPA、顺式/反式二苯乙烯和MOX2 (C₂₉H₂₇NO₄S)等几种含有部分共轭π键的不饱和分子，在高压下的发光性能、发光增强机制、结构相变以及聚合反应过程等。TPEPA：首先合成一种发光分子TPEPA，在0-20 GPa，拉曼和红外光谱结果显示部分=C-H (sp²)振动转变为C-H (sp²+sp³)键振动，表明TPEPA发生部分不可逆的聚合反应。荧光光谱显示，π*→π电子跃迁从0.2 GPa时的470 nm （青色）处红移至10 GPa时的550 nm （绿色）处消失，表明TPEPA在高压下完全非晶化。同时，拉曼和荧光显示CºC键的非晶化和聚合压力点均比苯环更低，表明苯环在高压下更稳定。紫外可见吸收光谱分析表明，加压前后TPEPA的带隙由2.9 eV降至1.3 eV，此带隙刚好处于p-n结太阳能电池材料的最大转换效率带隙范围（1.3~1.4 eV），为提升p-n结太阳能电池材料性能提供新思路。

  顺式/反式二苯乙烯：在0~20 GPa，顺式二苯乙烯由于π-π堆积作用，没有出现荧光增强。在16 GPa，红外光谱中C(sp²)-H转变为C(sp²+sp³)-H，表明顺式二苯乙烯分子中的苯环发生了不可逆的聚合反应。而反式二苯乙烯在0~4 GPa，由于苯环和C=C键扭转角的减小，导致刚性平面分子的形成，非辐射跃迁减弱，荧光辐射增强。在8 GPa发生结构相变，但由于反式二苯乙烯的结构更稳定，因此卸压后回到初始状态，即在高压下发生可逆转变。最后，采用直接加热和激光辐照相结合的方法，对高压下的顺反异构化进行了简要研究。发现顺式→反式二苯乙烯跃迁只能在固定范围的光照射下发生，但反式→顺式二苯乙烯跃迁即使在360 nm激光辐照下因温度不足也未能发生。此研究为合成更高纯度的反式异构体提供了新的思路。

  MOX2 (C₂₉H₂₇NO₄S)与Y7 (C₂₉H₂₄N₂O₂)：MOX2的取代基是-SO₂CH₃, Y7的取代基是-CºN，MOX2和Y7分子除了取代基，其他基团均相同，并且均具有聚集诱导发光和机械变色发光效应。MOX2的-SO₂CH₃基团具有较大的空间位阻且更易形成氢键，导致其在3 GPa时荧光增强了6.3倍，峰位却没有发生改变，并且发光增强效应可以部分保留至卸压。MOX2在高压下只有少数样品发生了非晶化和聚合反应，大部分样品发生可逆变化。因此，MOX2可用于不改变发光颜色，只调节其发光强度的材料需求。由于Y7的-CºN取代基空间位阻较小，且氢键较弱，故无压力诱导增强现象。Y7样品经历了可逆的非晶化过程，在高压下其谱峰位移最大，适合作为应力敏感材料。

[1] PARISER R, PARR R G. A Semi‐Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. I [J]. The Journal of Chemical Physics, 1953, 21(3): 466-71.
[2] POWER P P. Interaction of multiple bonded and unsaturated heavier main group compounds with hydrogen, ammonia, olefins, and related molecules [J]. Accounts of Chemical Research, 2011, 44(8): 627-37.
[3] COULSON C. On the calculation of the energy in unsaturated hydrocarbon molecules; proceedings of the Mathematical Proceedings of the Cambridge Philosophical Society, F, 1940 [C]. Cambridge University Press.
[4] POPLE J A. Electron interaction in unsaturated hydrocarbons [J]. Transactions of the Faraday Society, 1953, 49: 1375-85.
[5] PARADIES J. Metal‐free hydrogenation of unsaturated hydrocarbons employing molecular hydrogen [J]. Angewandte Chemie International Edition, 2014, 53(14): 3552-7.
[6] TOZER D J, AMOS R D, HANDY N C, et al. Does density functional theory contribute to the understanding of excited states of unsaturated organic compounds? [J]. Molecular physics, 1999, 97(7): 859-68.
[7] ZHANG X, MALHOTRA S, MOLINA M, et al. Micro-and nanogels with labile crosslinks–from synthesis to biomedical applications [J]. Chemical Society Reviews, 2015, 44(7): 1948-73.
[8] LIU Y, HAN S-J, LIU W-B, et al. Catalytic enantioselective construction of quaternary stereocenters: assembly of key building blocks for the synthesis of biologically active molecules [J]. Accounts of chemical research, 2015, 48(3): 740-51.
[9] EL-SUBBAGH H I, ABU-ZAID S M, MAHRAN M A, et al. Synthesis and biological evaluation of certain α, β-unsaturated ketones and their corresponding fused pyridines as antiviral and cytotoxic agents [J]. Journal of medicinal chemistry, 2000, 43(15): 2915-21.
[10] BOGER D L, WEINREB S M. Hetero Diels-Alder methodology in organic synthesis [M]. Elsevier, 2012.
[11] TAKAO K-I, MUNAKATA R, TADANO K-I. Recent advances in natural product synthesis by using intramolecular Diels− Alder reactions [J]. Chemical reviews, 2005, 105(12): 4779-807.
[12] NICOLAOU K C, SNYDER S A, MONTAGNON T, et al. The Diels–Alder reaction in total synthesis [J]. Angewandte Chemie International Edition, 2002, 41(10): 1668-98.
[13] BRUFFAERTS J, PIERROT D, MAREK I. Efficient and stereodivergent synthesis of unsaturated acyclic fragments bearing contiguous stereogenic elements [J]. Nature chemistry, 2018, 10(11): 1164-70.
[14] MORTON D, LEACH S, CORDIER C, et al. Synthesis of natural-product-like molecules with over eighty distinct scaffolds [J]. Angewandte Chemie, 2009, 121(1): 110-5.
[15] SCHLüTER A-D, LöFFLER M, ENKELMANN V. Synthesis of a fully unsaturated all-carbon ladder polymer [J]. Nature, 1994, 368(6474): 831-4.
[16] BRANDSMA L, VERKRUIJSSE H. Synthesis of acetylenes, allenes, and cumulenes [M]. Elsevier, 1981.
[17] BESSE V, CAMARA F, VOIRIN C, et al. Synthesis and applications of unsaturated cyclocarbonates [J]. Polymer Chemistry, 2013, 4(17): 4545-61.
[18] HINZMANN A, DRUHMANN S S, GRöGER H. Synthesis of Bifunctional Molecules for the Production of Polymers Based on Unsaturated Fatty Acids as Bioderived Raw Materials [J]. Sustainable Chemistry, 2020, 1(3): 18.
[19] DHOLAKIYA B. Unsaturated polyester resin for specialty applications [J]. Polyester, 2012, 7: 167-202.
[20] GEWERT B, PLASSMANN M M, MACLEOD M. Pathways for degradation of plastic polymers floating in the marine environment [J]. Environmental science: processes & impacts, 2015, 17(9): 1513-21.
[21] ZHANG K, HAMIDIAN A H, TUBIĆ A, et al. Understanding plastic degradation and microplastic formation in the environment: A review [J]. Environmental Pollution, 2021, 274: 116554.
[22] JAGANATHAN A, GARZAN A, WHITEHEAD D C, et al. A catalytic asymmetric chlorocyclization of unsaturated amides [J]. Angewandte Chemie, 2011, 123(11): 2641-4.
[23] SUGINOME M, ITO Y. Transition-metal-catalyzed additions of silicon− silicon and silicon− heteroatom bonds to unsaturated organic molecules [J]. Chemical Reviews, 2000, 100(8): 3221-56.
[24] KAWAKITA K, PARKER B F, KAKIUCHI Y, et al. Reactivity of terminal imido complexes of group 4–6 metals: Stoichiometric and catalytic reactions involving cycloaddition with unsaturated organic molecules [J]. Coordination chemistry reviews, 2020, 407: 213118.
[25] FELDMAN D, BARBALATA A. Synthetic polymers: technology, properties, applications [M]. Springer Science & Business Media, 1996.
[26] LILLI M, JURKO M, SIRJOVOVA V, et al. Basalt fibre surface modification via plasma polymerization of tetravinylsilane/oxygen mixtures for improved interfacial adhesion with unsaturated polyester matrix [J]. Materials Chemistry and Physics, 2021, 274: 125106.
[27] LIU F, BIN F, XUE J, et al. Polymer electrolyte membrane with high ionic conductivity and enhanced interfacial stability for lithium metal battery [J]. ACS applied materials & interfaces, 2020, 12(20): 22710-20.
[28] GRAU R, DE MENDOZA D. Regulation of the synthesis of unsaturated fatty acids by growth temperature in Bacillus subtilis [J]. Molecular microbiology, 1993, 8(3): 535-42.
[29] BOUSQUET M P, WILLEMOT R M, MONSAN P, et al. Enzymatic synthesis of unsaturated fatty acid glucoside esters for dermo-cosmetic applications [J]. Biotechnology and bioengineering, 1999, 63(6): 730-6.
[30] WINKLER M, MEIER M A. Highly efficient oxyfunctionalization of unsaturated fatty acid esters: an attractive route for the synthesis of polyamides from renewable resources [J]. Green Chemistry, 2014, 16(4): 1784-8.
[31] PRYOR W A. Vitamin E and heart disease:: Basic science to clinical intervention trials [J]. Free radical biology and medicine, 2000, 28(1): 141-64.
[32] SCHNEIDER C. Chemistry and biology of vitamin E [J]. Molecular nutrition & food research, 2005, 49(1): 7-30.
[33] CHEN W, WANG J, CHENG L, et al. Polypyrrole-coated mesoporous TiO2 nanocomposites simultaneously loading DOX and aspirin prodrugs for a synergistic theranostic and anti-inflammatory effect [J]. ACS Applied Bio Materials, 2021, 4(2): 1483-92.
[34] PICKARD C J, NEEDS R. High-pressure phases of nitrogen [J]. Physical review letters, 2009, 102(12): 125702.
[35] DRAKE R P, DRAKE R P. Introduction to high-energy-density physics [M]. Springer, 2006.
[36] DELOCHE R, MONCHICOURT P, CHERET M, et al. High-pressure helium afterglow at room temperature [J]. Physical Review A, 1976, 13(3): 1140.
[37] 薄晓旭. 含 N_5 分子体系的结构和稳定性的量子化学研究 [D]; 吉林大学, 2021.
[38] 李玉川, 庞思平. 全氮型超高能含能材料研究进展 [J]. 2012.
[39] SUN J, WU J, TONG X, et al. Organic/Inorganic Metal Halide Perovskite Optoelectronic Devices beyond Solar Cells [J]. Advanced Science, 2018, 5(5): 1700780.
[40] LIU Y-F, FENG J, BI Y-G, et al. Recent Developments in Flexible Organic Light-Emitting Devices [J]. Advanced Materials Technologies, 2019, 4(1): 1800371.
[41] LI Q, LI Z. Molecular Packing: Another Key Point for the Performance of Organic and Polymeric Optoelectronic Materials [J]. Accounts of Chemical Research, 2020, 53(4): 962-73.
[42] KELLER N, BEIN T. Optoelectronic processes in covalent organic frameworks [J]. Chemical Society Reviews, 2021, 50(3): 1813-45.
[43] YANG J, FANG M, LI Z. Organic luminescent materials: The concentration on aggregates from aggregation-induced emission [J]. Aggregate, 2020, 1(1): 6-18.
[44] SERVAITES J D, RATNER M A, MARKS T J. Organic solar cells: A new look at traditional models [J]. Energy & Environmental Science, 2011, 4(11): 4410-22.
[45] XIONG Y, LIAO Q, HUANG Z, et al. Ultrahigh Responsivity Photodetectors of 2D Covalent Organic Frameworks Integrated on Graphene [J]. Advanced Materials, 2020, 32(9): 1907242.
[46] XUE R, ZHANG J, LI Y, et al. Organic Solar Cell Materials toward Commercialization [J]. Small, 2018, 14(41): 1801793.
[47] LUO J, XIE Z, LAM J W, et al. Aggregation-induced emission of 1-methyl-1, 2, 3, 4, 5-pentaphenylsilole [J]. Chemical communications, 2001, (18): 1740-1.
[48] MEI J, LEUNG N L C, KWOK R T K, et al. Aggregation-Induced Emission: Together We Shine, United We Soar! [J]. Chemical Reviews, 2015, 115(21): 11718-940.
[49] MIAO M, SUN Y, ZUREK E, et al. Chemistry under high pressure [J]. Nature Reviews Chemistry, 2020, 4(10): 508-27.
[50] BRIDGMAN P W. Water, in the liquid and five solid forms, under pressure, F, 1913 [C]. American Academy of Arts and Sciences Cambridge, MA.
[51] BRIDGMAN P W. Recent work in the field of high pressures [J]. Reviews of Modern Physics, 1946, 18(1): 1.
[52] BRIDGMAN P W. High-pressure physics [M]. 1935.
[53] BRIDGMAN P, ŠIMON I. Effects of very high pressures on glass [J]. Journal of applied physics, 1953, 24(4): 405-13.
[54] DONG X, OGANOV A R, CUI H, et al. Electronegativity and chemical hardness of elements under pressure [J]. Proceedings of the National Academy of Sciences, 2022, 119(10): e2117416119.
[55] MAO W L, MAO H-K, ENG P J, et al. Bonding changes in compressed superhard graphite [J]. Science, 2003, 302(5644): 425-7.
[56] BUNDY F, BASSETT W, WEATHERS M, et al. The pressure-temperature phase and transformation diagram for carbon; updated through 1994 [J]. Carbon, 1996, 34(2): 141-53.
[57] IRIFUNE T, KURIO A, SAKAMOTO S, et al. Ultrahard polycrystalline diamond from graphite [J]. Nature, 2003, 421(6923): 599-600.
[58] KONG P, MINKOV V S, KUZOVNIKOV M A, et al. Superconductivity up to 243 K in the yttrium-hydrogen system under high pressure [J]. Nature communications, 2021, 12(1): 1-9.
[59] 单鹏飞, 王宁宁, 孙建平, et al. 富氢高温超导材料 [J]. 物理, 2021, 50(4): 217-27.
[60] ZHOU D, SEMENOK D V, DUAN D, et al. Superconducting praseodymium superhydrides [J]. Science advances, 2020, 6(9): eaax6849.
[61] CHEN W, SEMENOK D V, HUANG X, et al. High-Temperature Superconducting Phases in Cerium Superhydride with a T c up to 115 K below a Pressure of 1 Megabar [J]. Physical Review Letters, 2021, 127(11): 117001.
[62] KRUGLOV I A, SEMENOK D V, SONG H, et al. Superconductivity of LaH10 and LaH16 polyhydrides [J]. Physical Review B, 2020, 101(2): 024508.
[63] SALKE N P, DAVARI ESFAHANI M M, ZHANG Y, et al. Synthesis of clathrate cerium superhydride CeH9 at 80-100 GPa with atomic hydrogen sublattice [J]. Nature communications, 2019, 10(1): 1-10.
[64] DROZDOV A, KONG P, MINKOV V, et al. Superconductivity at 250 K in lanthanum hydride under high pressures [J]. Nature, 2019, 569(7757): 528-31.
[65] DROZDOV A, EREMETS M, TROYAN I, et al. Conventional superconductivity at 203 kelvin at high pressures in the sulfur hydride system [J]. Nature, 2015, 525(7567): 73-6.
[66] HU Q, KIM D Y, YANG W, et al. FeO2 and FeOOH under deep lower-mantle conditions and Earth’s oxygen–hydrogen cycles [J]. Nature, 2016, 534(7606): 241-4.
[67] BRAZHKIN V. High-pressure synthesized materials: treasures and hints [J]. High Pressure Research, 2007, 27(3): 333-51.
[68] ZHANG L, WANG Y, LV J, et al. Materials discovery at high pressures [J]. Nature Reviews Materials, 2017, 2(4): 1-16.
[69] SOLOZHENKO V L, GREGORYANZ E. Synthesis of superhard materials [J]. Materials Today, 2005, 8(11): 44-51.
[70] XIAO G, GENG T, ZOU B. Emerging functional materials under high pressure toward enhanced properties [J]. ACS Materials Letters, 2020, 2(9): 1233-9.
[71] WANG X, LIU X. High pressure: a feasible tool for the synthesis of unprecedented inorganic compounds [J]. Inorganic Chemistry Frontiers, 2020, 7(16): 2890-908.
[72] YUE Y, GAO Y, HU W, et al. Hierarchically structured diamond composite with exceptional toughness [J]. Nature, 2020, 582(7812): 370-4.
[73] ZHANG S, LI Z, LUO K, et al. Discovery of carbon-based strongest and hardest amorphous material [J]. National Science Review, 2022, 9(1): nwab140.
[74] HUANG Q, YU D, XU B, et al. Nanotwinned diamond with unprecedented hardness and stability [J]. Nature, 2014, 510(7504): 250-3.
[75] TIAN Y, XU B, YU D, et al. Ultrahard nanotwinned cubic boron nitride [J]. Nature, 2013, 493(7432): 385-8.
[76] JI C, ADELEKE A A, YANG L, et al. Nitrogen in black phosphorus structure [J]. Science advances, 2020, 6(23): eaba9206.
[77] TOMASINO D, KIM M, SMITH J, et al. Pressure-induced symmetry-lowering transition in dense nitrogen to layered polymeric nitrogen (LP-N) with colossal Raman intensity [J]. Physical review letters, 2014, 113(20): 205502.
[78] MCMAHAN A, LESAR R. Pressure dissociation of solid nitrogen under 1 Mbar [J]. Physical review letters, 1985, 54(17): 1929.
[79] MAILHIOT C, YANG L, MCMAHAN A. Polymeric nitrogen [J]. Physical Review B, 1992, 46(22): 14419.
[80] 雷力, 蒲梅芳, 冯雷豪, et al. 立方聚合氮 (cg-N) 的高温高压合成 [J]. 高压物理学报, 2018, 32(2): 13-7.
[81] GAO C, WANG J, ZHANG Y, et al. Pressure-Induced Phase Transition of β-RDX Single Crystals [J]. The Journal of Physical Chemistry C, 2021, 125(11): 6418-26.
[82] SUI Z, SUN X, LIANG W, et al. Phase Confirmation and Equation of State of β-HMX under 40 GPa [J]. The Journal of Physical Chemistry C, 2019, 123(50): 30121-8.
[83] YOO C-S, CYNN H. Equation of state, phase transition, decomposition of β-HMX (octahydro-1, 3, 5, 7-tetranitro-1, 3, 5, 7-tetrazocine) at high pressures [J]. The Journal of Chemical Physics, 1999, 111(22): 10229-35.
[84] EREMETS M I, GAVRILIUK A G, TROJAN I A, et al. Single-bonded cubic form of nitrogen [J]. Nature materials, 2004, 3(8): 558-63.
[85] GONCHAROV A F, CROWHURST J C, STRUZHKIN V V, et al. Triple point on the melting curve and polymorphism of nitrogen at high pressure [J]. Physical review letters, 2008, 101(9): 095502.
[86] KVASHNIN A G, ALLAHYARI Z, OGANOV A R. Computational discovery of hard and superhard materials [J]. Journal of Applied Physics, 2019, 126(4).
[87] JI C, LI B, LIU W, et al. Ultrahigh-pressure isostructural electronic transitions in hydrogen [J]. Nature, 2019, 573(7775): 558-62.
[88] LOUBEYRE P, OCCELLI F, DUMAS P. Synchrotron infrared spectroscopic evidence of the probable transition to metal hydrogen [J]. Nature, 2020, 577(7792): 631-5.
[89] 孙莹, 刘寒雨, 马琰铭. 高压下富氢高温超导体的研究进展 [J]. 物理学报, 2021.
[90] 毛河光, 吉诚, 李冰, et al. 超高压下的极端含能材料 [J]. Engineering, 2020.
[91] BORINAGA M, IBAñEZ-AZPIROZ J, BERGARA A, et al. Strong electron-phonon and band structure effects in the optical properties of high pressure metallic hydrogen [J]. Physical review letters, 2018, 120(5): 057402.
[92] DIAS R P, SILVERA I F. Observation of the Wigner-Huntington transition to metallic hydrogen [J]. Science, 2017, 355(6326): 715-8.
[93] BARANOWSKI B. Metal-hydrogen systems at high hydrogen pressures [J]. Hydrogen in Metals II, 1978: 157-200.
[94] FUKAI Y. The metal-hydrogen system: basic bulk properties [M]. Springer Science & Business Media, 2006.
[95] DONG X, OGANOV A R, GONCHAROV A F, et al. A stable compound of helium and sodium at high pressure [J]. Nature Chemistry, 2017, 9(5): 440-5.
[96] ZHANG W, OGANOV A R, GONCHAROV A F, et al. Unexpected stable stoichiometries of sodium chlorides [J]. Science, 2013, 342(6165): 1502-5.
[97] BYKOV M, BYKOVA E, APRILIS G, et al. Fe-N system at high pressure reveals a compound featuring polymeric nitrogen chains [J]. Nature communications, 2018, 9(1): 1-8.
[98] ZHENG H, WANG L, LI K, et al. Pressure induced polymerization of acetylide anions in CaC2 and 107 fold enhancement of electrical conductivity [J]. Chemical Science, 2017, 8(1): 298-304.
[99] YOO C S, NICOL M. Kinetics of a pressure-induced polymerization reaction of cyanogen [J]. The Journal of Physical Chemistry, 1986, 90(25): 6732-6.
[100] WARD M D, TANG W S, ZHU L, et al. Controlled Single-Crystalline Polymerization of C10H8·C10F8 under Pressure [J]. Macromolecules, 2019, 52(20): 7557-63.
[101] TANG W S, STROBEL T A. Pressure-Induced Solid-State Polymerization of Optically-Tunable Diphenyl-Substituted Diacetylene [J]. ACS Applied Polymer Materials, 2019, 1(12): 3286-94.
[102] SUNDAR C S, SAHU P C, SASTRY V S, et al. Pressure-induced polymerization of fullerenes: A comparative study of C60 and C70 [J]. Physical Review B, 1996, 53(13): 8180-3.
[103] LIPP M J, EVANS W J, BAER B J, et al. High-energy-density extended CO solid [J]. Nature materials, 2005, 4(3): 211-5.
[104] HAN J, TANG X, WANG Y, et al. Pressure-Induced Polymerization of Monosodium Acetylide: A Radical Reaction Initiated Topochemically [J]. The Journal of Physical Chemistry C, 2019, 123(50): 30746-53.
[105] EVANS W J, LIPP M J, YOO C S, et al. Pressure-Induced Polymerization of Carbon Monoxide:  Disproportionation and Synthesis of an Energetic Lactonic Polymer [J]. Chemistry of Materials, 2006, 18(10): 2520-31.
[106] CHELAZZI D, CEPPATELLI M, SANTORO M, et al. Pressure-Induced Polymerization in Solid Ethylene [J]. The Journal of Physical Chemistry B, 2005, 109(46): 21658-63.
[107] ZHENG H, WANG L, LI K, et al. Pressure induced polymerization of acetylide anions in CaC 2 and 10 7 fold enhancement of electrical conductivity [J]. Chemical Science, 2017, 8(1): 298-304.
[108] WANG Y, DONG X, TANG X, et al. Pressure-Induced Diels-Alder Reactions in C6H6-C6F6 Cocrystal towards Graphane Structure [J]. Angewandte Chemie International Edition, 2019, 58(5): 1468-73.
[109] SUN J, DONG X, WANG Y, et al. Pressure-Induced Polymerization of Acetylene: Structure-Directed Stereoselectivity and a Possible Route to Graphane [J]. Angewandte Chemie, 2017, 129(23): 6653-7.
[110] ZHANG P, GAO D, TANG X, et al. Ordered Van der Waals Hetero-nanoribbon from Pressure-Induced Topochemical Polymerization of Azobenzene [J]. Journal of the American Chemical Society, 2023, 145(12): 6845-52.
[111] LI Y, TANG X, ZHANG P, et al. Scalable high-pressure synthesis of sp2–sp3 carbon nanoribbon via
[4+2] polymerization of 1, 3, 5-triethynylbenzene [J]. The Journal of Physical Chemistry Letters, 2021, 12(30): 7140-5.
[112] WANG X, YANG X, WANG Y, et al. From biomass to functional crystalline diamond nanothread: pressure-induced polymerization of 2, 5-furandicarboxylic acid [J]. Journal of the American Chemical Society, 2022, 144(48): 21837-42.
[113] WANG X, TANG X, ZHANG P, et al. Crystalline fully carboxylated polyacetylene obtained under high pressure as a Li-ion battery anode material [J]. The Journal of Physical Chemistry Letters, 2021, 12(50): 12055-61.
[114] FITZGIBBONS T C, GUTHRIE M, XU E-S, et al. Benzene-derived carbon nanothreads [J]. Nature materials, 2015, 14(1): 43-7.
[115] YUNFAN F, KUO L, HAIYAN Z. Synthesis of Nano-Carbon Materials by High Pressure Solid-State Topochemical Polymerization [J]. Chinese Journal of High Pressure Physics, 2023, 37(6).
[116] YOO C-S. Physical and chemical transformations of highly compressed carbon dioxide at bond energies [J]. Physical Chemistry Chemical Physics, 2013, 15(21): 7949-66.
[117] 王萱, 李阔, 郑海燕, et al. 分子体系的高压化学反应 [J]. 化学通报, 2019, 82(5): 387-98.
[118] TROUT C C, BADDING J. Solid state polymerization of acetylene at high pressure and low temperature [J]. The Journal of Physical Chemistry A, 2000, 104(34): 8142-5.
[119] CEPPATELLI M, SANTORO M, BINI R, et al. Fourier transform infrared study of the pressure and laser induced polymerization of solid acetylene [J]. The Journal of Chemical Physics, 2000, 113(14): 5991-6000.
[120] SCHETTINO V, BINI R. Molecules under extreme conditions: Chemical reactions at high pressure [J]. Physical chemistry chemical physics, 2003, 5(10): 1951-65.
[121] AOKI K, BAER B, CYNN H, et al. High-pressure Raman study of one-dimensional crystals of the very polar molecule hydrogen cyanide [J]. Physical Review B, 1990, 42(7): 4298.
[122] CIABINI L, SANTORO M, GORELLI F A, et al. Triggering dynamics of the high-pressure benzene amorphization [J]. Nature Materials, 2007, 6(1): 39-43.
[123] CHANYSHEV A D, LITASOV K D, RASHCHENKO S V, et al. High-Pressure–High-Temperature Study of Benzene: Refined Crystal Structure and New Phase Diagram up to 8 GPa and 923 K [J]. Crystal Growth & Design, 2018, 18(5): 3016-26.
[124] ZHENG H, LI K, CODY G D, et al. Polymerization of acetonitrile via a hydrogen transfer reaction from CH3 to CN under extreme conditions [J]. Angewandte Chemie International Edition, 2016, 55(39): 12040-4.
[125] GAO D, TANG X, XU J, et al. Crystalline C3N3H3 tube (3, 0) nanothreads [J]. Proceedings of the National Academy of Sciences, 2022, 119(17): e2201165119.
[126] WECK G, LOUBEYRE P, LETOULLEC R. Observation of structural transformations in metal oxygen [J]. Physical review letters, 2002, 88(3): 035504.
[127] LUNDEGAARD L F, WECK G, MCMAHON M I, et al. Observation of an O8 molecular lattice in the ɛ phase of solid oxygen [J]. Nature, 2006, 443(7108): 201-4.
[128] SCHETTINO V, BINI R. Constraining molecules at the closest approach: chemistry at high pressure [J]. Chemical Society Reviews, 2007, 36(6): 869-80.
[129] YANG X, WANG X, WANG Y, et al. From Molecules to Carbon Materials—High Pressure Induced Polymerization and Bonding Mechanisms of Unsaturated Compounds [J]. Crystals, 2019, 9(10): 490.
[130] HUANG Q, YU D, XU B, et al. Nanotwinned diamond with unprecedented hardness and stability [J]. Nature, 2014, 510(7504): 250-3.
[131] TIAN Y, XU B, YU D, et al. Ultrahard nanotwinned cubic boron nitride [J]. Nature, 2013, 493(7432): 385-8.
[132] STACCHIOLA D, AZAD S, BURKHOLDER L, et al. An investigation of the reaction pathway for ethylene hydrogenation on Pd (111) [J]. The Journal of Physical Chemistry B, 2001, 105(45): 11233-9.
[133] RYU Y-J, YOO C-S, KIM M, et al. Hydrogen-doped polymeric carbon monoxide at high pressure [J]. The Journal of Physical Chemistry C, 2017, 121(18): 10078-86.
[134] RYU Y-J, KIM M, LIM J, et al. Dense carbon monoxide to 160 GPa: Stepwise polymerization to two-dimensional layered solid [J]. The Journal of Physical Chemistry C, 2016, 120(48): 27548-54.
[135] ZHANG S, DAI Y, LUO S, et al. Rehybridization of nitrogen atom induced photoluminescence enhancement under pressure stimulation [J]. Advanced Functional Materials, 2017, 27(1): 1602276.
[136] ZHANG J N, KANG H, LI N, et al. Organic solid fluorophores regulated by subtle structure modification: color-tunable and aggregation-induced emission [J]. Chemical science, 2017, 8(1): 577-82.
[137] AN B-K, GIERSCHNER J, PARK S Y. π-Conjugated cyanostilbene derivatives: a unique self-assembly motif for molecular nanostructures with enhanced emission and transport [J]. Accounts of Chemical Research, 2012, 45(4): 544-54.
[138] ZHU S, ZHANG J, TANG S, et al. Surface chemistry routes to modulate the photoluminescence of graphene quantum dots: from fluorescence mechanism to up‐conversion bioimaging applications [J]. Advanced Functional Materials, 2012, 22(22): 4732-40.
[139] VARGHESE S, DAS S. Role of Molecular Packing in Determining Solid-State Optical Properties of π-Conjugated Materials [J]. The Journal of Physical Chemistry Letters, 2011, 2(8): 863-73.
[140] LI Z, LI Z R, MENG H. Organic light-emitting materials and devices [M]. CRC press, 2006.
[141] LI W, CHEN Z, YU H, et al. Wood‐Derived Carbon Materials and Light‐Emitting Materials [J]. Advanced Materials, 2021, 33(28): 2000596.
[142] XU W, LIU B, CAI X, et al. Fluorescent poly(hydroxyurethane): Biocompatibility evaluation and selective detection of Fe(III) [J]. Journal of Applied Polymer Science, 2018, 135(40): 46723.
[143] PARK D-H, HONG J, PARK I S, et al. A Colorimetric Hydrocarbon Sensor Employing a Swelling-Induced Mechanochromic Polydiacetylene [J]. Advanced Functional Materials, 2014, 24(33): 5186-93.
[144] YUAN W Z, GONG Y, CHEN S, et al. Efficient Solid Emitters with Aggregation-Induced Emission and Intramolecular Charge Transfer Characteristics: Molecular Design, Synthesis, Photophysical Behaviors, and OLED Application [J]. Chemistry of Materials, 2012, 24(8): 1518-28.
[145] QIN Z, GAO H, DONG H, et al. Organic Light-Emitting Transistors Entering a New Development Stage [J]. Advanced Materials, 2021, 33(31): 2007149.
[146] ZHANG Y, LI Z, SUN Q, et al. Light‐Emitting Conjugated Organic Polymer as an Efficient Fluorescent Probe for Cu2+ Ions Detection and Cell Imaging [J]. Macromolecular Rapid Communications, 2021, 42(19): 2100469.
[147] SHEN C, WANG J, CAO Y, et al. Facile access to B-doped solid-state fluorescent carbon dots toward light emitting devices and cell imaging agents [J]. Journal of Materials Chemistry C, 2015, 3(26): 6668-75.
[148] ZAMPETTI A, MINOTTO A, CACIALLI F. Near-infrared (NIR) organic light‐emitting diodes (OLEDs): challenges and opportunities [J]. Advanced Functional Materials, 2019, 29(21): 1807623.
[149] SUN H, LIU S, LIN W, et al. Smart responsive phosphorescent materials for data recording and security protection [J]. Nature communications, 2014, 5(1): 1-9.
[150] CHU B, ZHANG H, HU L, et al. Altering Chain Flexibility of Aliphatic Polyesters for Yellow-Green Clusteroluminescence in 38 % Quantum Yield [J]. Angewandte Chemie International Edition, 2022, 61(6): e202114117.
[151] WARD M D, TANG W S, ZHU L, et al. Controlled single-crystalline polymerization of C10H8· C10F8 under pressure [J]. Macromolecules, 2019, 52(20): 7557-63.
[152] WANG L, WANG K, ZOU B, et al. Luminescent chromism of boron diketonate crystals: distinct responses to different stresses [J]. Advanced Materials, 2015, 27(18): 2918-22.
[153] FANETTI S, CITRONI M, BINI R. Pressure-Induced Fluorescence of Pyridine [J]. The Journal of Physical Chemistry B, 2011, 115(42): 12051-8.
[154] LIU H, GU Y, DAI Y, et al. Pressure-induced blue-shifted and enhanced emission: a cooperative effect between aggregation-induced emission and energy-transfer suppression [J]. Journal of the American Chemical Society, 2020, 142(3): 1153-8.
[155] JOHNSON P C, OFFEN H W. Pressure dependence of intersystem crossing in anthracene and two derivatives at 77 K [J]. Chemical Physics Letters, 1970, 6: 505-7.
[156] GU Y, LIU H, QIU R, et al. Pressure-induced emission enhancement and multicolor emission for 1, 2, 3, 4-tetraphenyl-1, 3-cyclopentadiene: controlled structure evolution [J]. The Journal of Physical Chemistry Letters, 2019, 10(18): 5557-62.
[157] YUAN H, WANG K, YANG K, et al. Luminescence properties of compressed tetraphenylethene: the role of intermolecular interactions [J]. The Journal of Physical Chemistry Letters, 2014, 5(17): 2968-73.
[158] LI N, GU Y, CHEN Y, et al. Pressure-induced emission enhancement and piezochromism of triphenylethylene [J]. The Journal of Physical Chemistry C, 2019, 123(11): 6763-7.
[159] YANG Z, FU Z, LIU H, et al. Pressure-induced room-temperature phosphorescence enhancement based on purely organic molecules with a folded geometry [J]. Chemical Science, 2023, 14(10): 2640-5.
[160] WANG Q, LI S, HE L, et al. Pressure-Induced Emission Enhancement of a Series of Dicyanovinyl-Substituted Aromatics: Pressure Tuning of the Molecular Population with Different Conformations [J]. ChemPhysChem, 2008, 9(8): 1146-52.
[161] HAN J, ZHENG Q, JIN C, et al. Comparative Study on Properties, Structural Changes, and Isomerization of Cis/Trans-Stilbene under High Pressure [J]. The Journal of Physical Chemistry C, 2022.
[162] GU Y, WANG K, DAI Y, et al. Pressure-induced emission enhancement of carbazole: the restriction of intramolecular vibration [J]. The Journal of Physical Chemistry Letters, 2017, 8(17): 4191-6.
[163] LI X, CUI J, BA Q, et al. Multiphotoluminescence from a Triphenylamine Derivative and Its Application in White Organic Light-Emitting Diodes Based on a Single Emissive Layer [J]. Advanced Materials, 2019, 31(23): 1900613.
[164] BRIDGMAN P. Polymorphic transitions of thirty five substances to 50,000 kg/sq cm [J]. Proceedings of the American Academy of Arts and Science, 1937, 72: 207-25.
[165] BRIDGMAN P. The melting curves and compressibilities of nitrogen and argon [M]. Volume V Collected Experimental Papers, Volume V. Harvard University Press. 2013: 2855-86.
[166] LAWSON A, TANG T Y. A diamond bomb for obtaining powder pictures at high pressures [J]. Review of Scientific instruments, 1950, 21(9): 815-.
[167] WEIR C, LIPPINCOTT E, VAN VALKENBURG A, et al. Infrared studies in the 1-to 15-micron region to 30,000 atmospheres [J]. Journal of research of the National Bureau of Standards Section A, Physics and chemistry, 1959, 63(1): 55.
[168] JAMIESON J C, LAWSON A, NACHTRIEB N. New Device for Obtaining X-Ray Diffraction Patterns from Substances Exposed to High Pressure [J]. Review of Scientific instruments, 1959, 30(11): 1016-9.
[169] PIERMARINI G, WEIR C. A diamond cell for X-ray diffraction studies at high pressures [J]. J Res Natl Bur Stans A, 1962, 66: 325-31.
[170] VAN VALKENBURG A. Diamond high pressure windows [J]. Diamond Research, 1964, 1964: 17-20.
[171] MAO H. High-pressure physics: sustained static generation of 1.36 to 1.72 megabars [J]. Science, 1978, 200(4346): 1145-7.
[172] MAO H, BELL P, SHANER J T, et al. Specific volume measurements of Cu, Mo, Pd, and Ag and calibration of the ruby R 1 fluorescence pressure gauge from 0.06 to 1 Mbar [J]. Journal of applied physics, 1978, 49(6): 3276-83.
[173] BARNETT J, BLOCK S, PIERMARINI G. An optical fluorescence system for quantitative pressure measurement in the diamond-anvil cell [J]. Review of scientific instruments, 1973, 44(1): 1-9.
[174] MAO H, XU J-A, BELL P. Calibration of the ruby pressure gauge to 800 kbar under quasi-hydrostatic conditions [J]. Journal of Geophysical Research: Solid Earth, 1986, 91(B5): 4673-6.
[175] DUBROVINSKAIA N, DUBROVINSKY L, SOLOPOVA N A, et al. Terapascal static pressure generation with ultrahigh yield strength nanodiamond [J]. Science advances, 2016, 2(7): e1600341.
[176] 丁琨, 窦秀明, 孙宝权. 压电驱动金刚石对顶砧加压装置的研制和应用 [J]. 物理, 2019, 48(7): 451-5.
[177] MAO H K, BELL P M, SHANER J W, et al. Specific volume measurements of Cu, Mo, Pd, and Ag and calibration of the ruby R1 fluorescence pressure gauge from 0.06 to 1 Mbar [J]. Journal of Applied Physics, 1978, 49(6): 3276-83.
[178] BARNETT J D, BLOCK S, PIERMARINI G J. An Optical Fluorescence System for Quantitative Pressure Measurement in the Diamond-Anvil Cell [J]. Review of Scientific Instruments, 1973, 44(1): 1-9.
[179] MAO H K, XU J, BELL P M. Calibration of the ruby pressure gauge to 800 kbar under quasi-hydrostatic conditions [J]. Journal of Geophysical Research: Solid Earth, 1986, 91(B5): 4673-6.
[180] 韩军. 不饱和金属多碳化物的高压反应研究 [D]; 中国工程物理研究院, 2020.
[181] BESSON J, NELMES R, HAMEL G, et al. Neutron powder diffraction above 10 GPa [J]. Physica B: Condensed Matter, 1992, 180: 907-10.
[182] KLOTZ S, STRäSSLE T, ROUSSE G, et al. Angle-dispersive neutron diffraction under high pressure to 10 GPa [J]. Applied Physics Letters, 2005, 86(3): 031917.
[183] 房雷鸣, 陈喜平, 谢雷, et al. CMRR 中子科学平台的高压中子衍射技术及应用 [J]. 高压物理学报, 2020, 34(5): 050104-1.
[184] 史钰, 陈喜平, 谢雷, et al. 基于巴黎-爱丁堡压机的高压中子衍射技术 [J]. 物理学报, 2019, 11.
[185] Sample Environment of the SNAP Instrument [Z]. https://neutrons.ornl.gov/snap/sample. 2022
[186] FEDOTENKO T, DUBROVINSKY L, APRILIS G, et al. Laser heating setup for diamond anvil cells for in situ synchrotron and in house high and ultra-high pressure studies [J]. Review of Scientific Instruments, 2019, 90(10).
[187] KIM K J. Characteristics of synchrotron radiation; proceedings of the AIP conference proceedings, F, 1989 [C]. American Institute of Physics.
[188] PRESCHER C, PRAKAPENKA V B. DIOPTAS: a program for reduction of two-dimensional X-ray diffraction data and data exploration [J]. High Pressure Research, 2015, 35(3): 223-30.
[189] PETŘíČEK V, DUŠEK M, PALATINUS L. Crystallographic computing system JANA2006: general features [J]. Zeitschrift für Kristallographie-Crystalline Materials, 2014, 229(5): 345-52.
[190] KRESSE G, HAFNER J. Ab initio molecular dynamics for liquid metals [J]. Physical review B, 1993, 47(1): 558.
[191] KRESSE G, FURTHMüLLER J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set [J]. Computational materials science, 1996, 6(1): 15-50.
[192] SHAM L J, KOHN W. One-particle properties of an inhomogeneous interacting electron gas [J]. Physical Review, 1966, 145(2): 561.
[193] PERDEW J P, BURKE K, ERNZERHOF M. Generalized gradient approximation made simple [J]. Physical review letters, 1996, 77(18): 3865.
[194] LI J, LIU Y, MA W, et al. Tri-explosophoric groups driven fused energetic heterocycles featuring superior energetic and safety performances outperforms HMX [J]. Nature Communications, 2022, 13(1): 5697.
[195] KLAPöTKE T M. Chemistry of high-energy materials [M]. Walter de Gruyter GmbH & Co KG, 2022.
[196] MEYER R, KöHLER J, HOMBURG A. Explosives [M]. John Wiley & Sons, 2016.
[197] YIN P, ZHANG Q, SHREEVE J N M. Dancing with energetic nitrogen atoms: versatile N-functionalization strategies for N-heterocyclic frameworks in high energy density materials [J]. Accounts of chemical research, 2016, 49(1): 4-16.
[198] BADGUJAR D, TALAWAR M, ASTHANA S, et al. Advances in science and technology of modern energetic materials: an overview [J]. Journal of hazardous materials, 2008, 151(2-3): 289-305.
[199] KLAPöTKE T M. High energy density materials [M]. Springer, 2007.
[200] YOO C, IOTA V, CYNN H, et al. Disproportionation and other transformations of N2O at high pressures and temperatures to lower energy, denser phases [J]. The Journal of Physical Chemistry B, 2003, 107(24): 5922-5.
[201] XIAO H, AN Q, GODDARD III W A, et al. Formation of the–N (NO) N (NO)–polymer at high pressure and stabilization at ambient conditions [J]. Proceedings of the National Academy of Sciences, 2013, 110(14): 5321-5.
[202] YOO C-S, KIM M, LIM J, et al. Copolymerization of CO and N2 to extended CON2 framework solid at high pressures [J]. The Journal of Physical Chemistry C, 2018, 122(24): 13054-60.
[203] RAZA Z, PICKARD C J, PINILLA C, et al. High energy density mixed polymeric phase from carbon monoxide and nitrogen [J]. Physical Review Letters, 2013, 111(23): 235501.
[204] BERNARD S, CHIAROTTI G L, SCANDOLO S, et al. Decomposition and polymerization of solid carbon monoxide under pressure [J]. Physical review letters, 1998, 81(10): 2092.
[205] SUN J, KLUG D D, PICKARD C J, et al. Controlling the bonding and band gaps of solid carbon monoxide with pressure [J]. Physical Review Letters, 2011, 106(14): 145502.
[206] SUN C, GUO W, ZHU J, et al. High-energy-density polymeric carbon oxide: Layered solids under pressure [J]. Physical Review B, 2021, 104(9): 094102.
[207] POREZAG D, PEDERSON M R. Infrared intensities and Raman-scattering activities within density-functional theory [J]. Physical Review B, 1996, 54(11): 7830-6.
[208] KWON J E, PARK S Y. Advanced Organic Optoelectronic Materials: Harnessing Excited-State Intramolecular Proton Transfer (ESIPT) Process [J]. Advanced Materials, 2011, 23(32): 3615-42.
[209] LI Z, KONG J, WANG F, et al. Polyhedral oligomeric silsesquioxanes (POSSs): an important building block for organic optoelectronic materials [J]. Journal of Materials Chemistry C, 2017, 5(22): 5283-98.
[210] WU H, YING L, YANG W, et al. Progress and perspective of polymer white light-emitting devices and materials [J]. Chemical Society Reviews, 2009, 38(12): 3391-400.
[211] WöHRLE D, MEISSNER D. Organic Solar Cells [J]. Advanced Materials, 1991, 3(3): 129-38.
[212] HOPPE H, SARICIFTCI N S. Organic solar cells: An overview [J]. Journal of Materials Research, 2004, 19(7): 1924-45.
[213] RüHLE S. Tabulated values of the Shockley–Queisser limit for single junction solar cells [J]. Solar Energy, 2016, 130: 139-47.
[214] SHOCKLEY W, QUEISSER H J. Detailed Balance Limit of Efficiency of p‐n Junction Solar Cells [J]. Journal of Applied Physics, 1961, 32(3): 510-9.
[215] LI X, CUI J, BA Q, et al. Multiphotoluminescence from a Triphenylamine Derivative and Its Application in White Organic Light-Emitting Diodes Based on a Single Emissive Layer [J]. Advanced Materials, 2019, 31(23): 1900613.
[216] MISRA R, MARAGANI R, GAUTAM P, et al. Tetracyanoethylene substituted triphenylamine analogues [J]. Tetrahedron Letters, 2014, 55(51): 7102-5.
[217] CRAIG N C, KRASNOSHCHEKOV S V. Vibrational spectroscopy of tolane; Coriolis coupling between Raman-active modes of g symmetry [J]. Molecular Physics, 2019, 117(9-12): 1059-68.
[218] FLOCK M, BOSSE L, KAISER D, et al. A time-resolved photoelectron imaging study on isolated tolane: observation of the biradicalic 1Au state [J]. Physical Chemistry Chemical Physics, 2019, 21(24): 13157-64.
[219] HIURA H, TAKAHASHI H. Time-resolved resonance Raman spectroscopy of diphenylacetylene: structures and dynamics of the lowest excited triplet state, radical cation, and radical anion [J]. The Journal of Physical Chemistry, 1992, 96(22): 8909-15.
[220] SHIMOJIMA A, TAKAHASHI H. Ab initio study of geometries and force fields of diphenylacetylene in the ground state, radical cation, radical anion, and lowest excited triplet state [J]. The Journal of Physical Chemistry, 1993, 97(36): 9103-12.
[221] COMPANION A L. Theory and Applications of Diffuse Reflectance Spectroscopy; proceedings of the Developments in Applied Spectroscopy, Boston, MA, F 1965, 1965 [C]. Springer US.
[222] KUBELKA P, & MUNK, F. An article on optics of paint layers [J]. Z Tech Phys, 1931.
[223] MAKUŁA P, PACIA M, MACYK W. How To Correctly Determine the Band Gap Energy of Modified Semiconductor Photocatalysts Based on UV–Vis Spectra [J]. The Journal of Physical Chemistry Letters, 2018, 9(23): 6814-7.
[224] BROWN E V, GRANNEMAN G R. Cis-trans isomerism in the pyridyl analogs of azobenzene. Kinetic and molecular orbital analysis [J]. Journal of the American Chemical Society, 1975, 97(3): 621-7.
[225] STAHL W, SCHWARZ W, SUNDQUIST A R, et al. cis-trans isomers of lycopene and β-carotene in human serum and tissues [J]. Archives of Biochemistry and Biophysics, 1992, 294(1): 173-7.
[226] MOSS G P. Basic terminology of stereochemistry (IUPAC Recommendations 1996) [J]. Pure and Applied Chemistry, 1996, 68(12): 2193-222.
[227] HARTLEY G S. 113. The cis-form of azobenzene and the velocity of the thermal cis→trans-conversion of azobenzene and some derivatives [J]. Journal of the Chemical Society (Resumed), 1938, (0): 633-42.
[228] HARTLEY G S. The Cis-form of Azobenzene [J]. Nature, 1937, 140(3537): 281-.
[229] BRANDTS J F, HALVORSON H R, BRENNAN M. Consideration of the Possibility that the slow step in protein denaturation reactions is due to cis-trans isomerism of proline residues [J]. Biochemistry, 1975, 14(22): 4953-63.
[230] BANDARA H M D, BURDETTE S C. Photoisomerization in different classes of azobenzene [J]. Chemical Society Reviews, 2012, 41(5): 1809-25.
[231] SCHMIDT M W, TRUONG P N, GORDON M S. .pi.-Bond strengths in the second and third periods [J]. Journal of the American Chemical Society, 1987, 109(17): 5217-27.
[232] DUGAVE C, DEMANGE L. Cis−Trans Isomerization of Organic Molecules and Biomolecules:  Implications and Applications [J]. Chemical Reviews, 2003, 103(7): 2475-532.
[233] WEISS J M, DOWNS C R. THE PHYSICAL PROPERTIES OF MALEIC, FUMARIC AND MALIC ACIDS [J]. Journal of the American Chemical Society, 1923, 45(4): 1003-8.
[234] STRAIN H H. cis-trans Isomeric Carotenoids, Vitamins a and Arylpolyenes [J]. Journal of the American Chemical Society, 1963, 85(7): 1025-.
[235] KINSELLA J E, BRUCKNER G, MAI J, et al. Metabolism of trans fatty acids with emphasis on the effects of trans,trans-octadecadienoate on lipid composition, essential fatty acid, and prostaglandins: an overview [J]. The American Journal of Clinical Nutrition, 1981, 34(10): 2307-18.
[236] WANG Y, LI Q. Light-Driven Chiral Molecular Switches or Motors in Liquid Crystals [J]. Advanced Materials, 2012, 24(15): 1926-45.
[237] QIN L, LIU X, YU Y. Soft Actuators of Liquid Crystal Polymers Fueled by Light from Ultraviolet to Near Infrared [J]. Advanced Optical Materials, 2021, 9(7): 2001743.
[238] MAHIMWALLA Z, YAGER K G, MAMIYA J-I, et al. Azobenzene photomechanics: prospects and potential applications [J]. Polymer Bulletin, 2012, 69(8): 967-1006.
[239] HUBBARD R, WALD G. CIS-TRANS ISOMERS OF VITAMIN A AND RETINENE IN THE RHODOPSIN SYSTEM [J]. Journal of General Physiology, 1952, 36(2): 269-315.
[240] HU Y, LI Z, LAN T, et al. Photoactuators for Direct Optical-to-Mechanical Energy Conversion: From Nanocomponent Assembly to Macroscopic Deformation [J]. Advanced Materials, 2016, 28(47): 10548-56.
[241] GU Y, SHAO G, TIAN Z, et al. Two different emission enhancement of trans-stilbene crystal under high pressure: Different evolution of structure [J]. Chinese Physics B, 2021, 31(1): 017901.
[242] WANG L, YE K-Q, ZHANG H-Y. Organic materials with hydrostatic pressure induced mechanochromic properties [J]. Chinese Chemical Letters, 2016, 27(8): 1367-75.
[243] LEWIS F D, WEIGEL W. Excited State Properties of Donor− Acceptor Substituted Trans-Stilbenes: The M Eta-Amino Effect [J]. The Journal of Physical Chemistry A, 2000, 104(34): 8146-53.
[244] HARADA J, OGAWA K. Invisible but common motion in organic crystals: a pedal motion in stilbenes and azobenzenes [J]. Journal of the American Chemical Society, 2001, 123(44): 10884-8.
[245] TAYLOR T W J, MURRAY A R. 395. Isomeric change in certain stilbenes [J]. Journal of the Chemical Society (Resumed), 1938, (0): 2078-86.
[246] SANTORO A V, BARRETT E J, HOYER H W. Kinetics of cis-trans isomerization by differential thermal analysis [J]. Journal of the American Chemical Society, 1967, 89(17): 4545-6.
[247] KISTIAKOWSKY G B, SMITH W R. Kinetics of Thermal Cis-Trans Isomerization. III [J]. Journal of the American Chemical Society, 1934, 56(3): 638-42.
[248] DOUGLAS C. NECKERS D H V, GüNTHER VON BüNAU. Advances in Photochemistry [M]. 1994.
[249] BORTOLUS P, CAUZZO G. Thermal isomerization of stilbene and styrylpyridines in the liquid state [J]. Transactions of the Faraday Society, 1970, 66(0): 1161-4.
[250] MINEZAWA N, GORDON M S. Photoisomerization of Stilbene: A Spin-Flip Density Functional Theory Approach [J]. The Journal of Physical Chemistry A, 2011, 115(27): 7901-11.
[251] KAWAGUCHI Y. The new photoisomerization mechanism of stilbene [J]. The Journal of Chemical Physics, 1994, 100(12): 8856-68.
[252] HAN W-G, LOVELL T, LIU T, et al. Density Functional Studies of the Ground- and Excited-State Potential-Energy Curves of Stilbene cis–trans Isomerization [J]. ChemPhysChem, 2002, 3(2): 167-78.
[253] ZHANG D, DERA P K, ENG P J, et al. High pressure single crystal diffraction at PX^2 [J]. JoVE (Journal of Visualized Experiments), 2017, (119): e54660.
[254] FEDOTENKO T, DUBROVINSKY L, APRILIS G, et al. Laser heating setup for diamond anvil cells for in situ synchrotron and in house high and ultra-high pressure studies [J]. Review of Scientific Instruments, 2019, 90(10): 104501.
[255] WANG Z, LI R, CHEN L, et al. Precise Molecular Design of a Pair of New Regioisomerized Fluorophores With Opposite Fluorescent Properties [J]. Frontiers in Chemistry, 2022, 9.
[256] CHEN L, LI R, WANG X, et al. New Rofecoxib-Based Mechanochromic Luminescent Materials and Investigations on Their Aggregation-Induced Emission, Acidochromism, and LD-Specific Bioimaging [J]. The Journal of Physical Chemistry B, 2022, 126(8): 1768-78.
[257] PANUNTO T W, URBANCZYK-LIPKOWSKA Z, JOHNSON R, et al. Hydrogen-bond formation in nitroanilines: the first step in designing acentric materials [J]. Journal of the American Chemical Society, 1987, 109(25): 7786-97.