Metal-Centered Boron-Wheel Cluster of Y©B₁₁ ^2- with Rare D _11h Symmetry

Dong, Xin-Ran1; Zhang, Jing-Xuan1; Chen, Teng-Teng2,3; Xu, Cong-Qiao1; Li, Jun1,4,5,6

2024-03-28

10.1021/acs.inorgchem.3c04636

INORGANIC CHEMISTRY   影响因子和分区

0020-1669

1520-510X

Molecules with high point-group symmetry are interesting prototype species in the textbook. As transition metal-centered boron clusters tend to have highly symmetric structures to fulfill multicenter bonding and high stability, new boron clusters with rare point-group symmetry may be viable. Through in-depth scrutiny over the structures of experimentally already observed transition metal-centered boron-wheel complexes, geometric and electronic design principles are summarized, based on which we studied M (c) B-11(k-) (M = Y, La; Zr, Hf; k = 1, 2) clusters and found that a Y (c) B-11(2-) boron-wheel complex has an unprecedented D-11h point-group symmetry. The remarkable stability of the planar Y (c) B-11(2-) complex is illustrated via extensive global-minimum structural search as well as comprehensive chemical bonding analyses. Similar to other boron-wheel complexes, the Y (c) B-11(2-) complex is shown to possess sigma and pi double aromaticity, indeed following the electronic design principle previously summarized. This new compound is expected to be experimentally identified, which will extend the currently known largest possible planar molecular symmetry and enrich the metal-centered boron-wheel class.

SCI ; EI

英语

第一 ; 通讯

China Association for Science and Technology["22033005","22103035"] ; National Natural Science Foundation of China["2022YFA1503900","2023YFA1506600"] ; National Key Research and Development Project[pdjh2020c0032] ; Special Funds for the Cultivation of Guangdong College Students' Scientific and Technological Innovation ("Climbing Program" Special Funds)["2020B121201002","HZQB-KCZYB-2020083"] ; Guangdong Provincial Key Laboratory of Catalysis[2023QNRC001]

Chemistry

Chemistry, Inorganic & Nuclear

WOS:001193659800001

AMER CHEMICAL SOC

CHEMISTRY

Web of Science

1.Southern Univ Sci & Technol, Dept Chem, Guangdong Prov Key Lab Catalyt Chem, Shenzhen 518055, Peoples R China
2.Hong Kong Univ Sci & Technol HKUST, Dept Chem, Clear Water Bay, Hong Kong 999077, Peoples R China
3.HKUST, Shenzhen Hong Kong Collaborat Innovat Res Inst, Shenzhen 518045, Peoples R China
4.Tsinghua Univ, Dept Chem, Beijing 100084, Peoples R China
5.Tsinghua Univ, Engn Res Ctr Adv Rare Earth Mat, Minist Educ, Beijing 100084, Peoples R China
6.Chinese Acad Sci, Ganjiang Innovat Acad, Fundamental Sci Ctr Rare Earths, Ganzhou 341000, Peoples R China

Dong, Xin-Ran,Zhang, Jing-Xuan,Chen, Teng-Teng,et al. Metal-Centered Boron-Wheel Cluster of Y©B₁₁ ^2- with Rare D _11h Symmetry[J]. INORGANIC CHEMISTRY,2024,63(14).

Dong, Xin-Ran,Zhang, Jing-Xuan,Chen, Teng-Teng,Xu, Cong-Qiao,&Li, Jun.(2024).Metal-Centered Boron-Wheel Cluster of Y©B₁₁ ^2- with Rare D _11h Symmetry.INORGANIC CHEMISTRY,63(14).

Dong, Xin-Ran,et al."Metal-Centered Boron-Wheel Cluster of Y©B₁₁ ^2- with Rare D _11h Symmetry".INORGANIC CHEMISTRY 63.14(2024).