Neutron diffraction study of crystal structure and temperature driven molecular reorientation in solid alpha-CO

Wang, Lijuan1; Sun, Chuli2; Xu, Hongwu3; Zhang, Jianzhong3; Zhao, Yusheng4; Guo, Wei2; Zhu, Jinlong1,4

2020-04

10.1063/1.5121337

AIP Advances   影响因子和分区

2158-3226

2158-3226

Neutron diffraction studies have been carried out on carbon monoxide (CO) in the temperature range of 14-68 K. From the data of the temperature dependent crystal parameters, the volume thermal expansion beta (T), C-O bond length, and intermolecular distance of CO have been determined and compared with calculations. The volume evolution of cubic CO solids indicates a normal thermal expansion. However, the bond length of CO molecules contracts with the increase in temperature. Correspondingly, the distance between CO molecules increases much faster with an increase in the temperature. We find that intermolecular and intramolecular interactions account for these abnormal temperature behaviors of CO molecular crystals. The abnormal change observed in the curve beta (T), evolution of C-O bond length, and distance between two CO molecules indicate an order-disorder phase transition induced by head-to-tail reorientations of CO dipoles.

SCI ; EI

英语

通讯

Fundamental Research Funds for the Central Universities[2017CX10007]

Science & Technology - Other Topics ; Materials Science ; Physics

Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied

WOS:000525098800001

AMER INST PHYSICS

20201608419150

Bond length ; Negative thermal expansion ; Neutron diffraction ; Molecular crystals ; Thermal expansion ; Molecules ; Carbon dioxide ; Crystal structure

Thermodynamics:641.1 ; Physical Chemistry:801.4 ; Inorganic Compounds:804.2 ; Atomic and Molecular Physics:931.3 ; Crystalline Solids:933.1 ; Crystal Lattice:933.1.1 ; Materials Science:951

Web of Science

1.Ctr High Pressure Sci & Technol Adv Res HPSTAR, POB 8009, Beijing 100088, Peoples R China
2.Beijing Inst Technol, Sch Phys, Beijing 100081, Peoples R China
3.Los Alamos Natl Lab, Neutron Scattering Ctr LANSCE, Los Alamos, NM 87545 USA
4.Southern Univ Sci & Technol, Phys Dept, Shenzhen 518055, Peoples R China

Wang, Lijuan,Sun, Chuli,Xu, Hongwu,et al. Neutron diffraction study of crystal structure and temperature driven molecular reorientation in solid alpha-CO[J]. AIP Advances,2020,10(4).

Wang, Lijuan.,Sun, Chuli.,Xu, Hongwu.,Zhang, Jianzhong.,Zhao, Yusheng.,...&Zhu, Jinlong.(2020).Neutron diffraction study of crystal structure and temperature driven molecular reorientation in solid alpha-CO.AIP Advances,10(4).

Wang, Lijuan,et al."Neutron diffraction study of crystal structure and temperature driven molecular reorientation in solid alpha-CO".AIP Advances 10.4(2020).