Stabilities, Electronic Structures, and Bonding Properties of 20-Electron Transition Metal Complexes (Cp)2TMO and their One-Dimensional Sandwich Molecular Wires (Cp = C5H5, C5(CH3)H4, C5(CH3)5; TM = Cr, Mo, W)-Reference-Cited by-同舟云学术

Stabilities, Electronic Structures, and Bonding Properties of 20-Electron Transition Metal Complexes (Cp)2TMO and their One-Dimensional Sandwich Molecular Wires (Cp = C5H5, C5(CH3)H4, C5(CH3)5; TM = Cr, Mo, W)

Published:2021-01-19 Issue:3 Volume:125 Page:721-730
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Xu Song¹,Li Mengyang¹,Pei Gerui¹,Zhao Pei²³^ORCID,Zhao Xintian¹,Wu Guanchen¹,Kong Chuncai¹^ORCID,Yang Zhimao¹,Ehara Masahiro²³^ORCID,Yang Tao¹^ORCID

Affiliation:

1. MOE Key Laboratory for Non-Equilibrium Synthesis and Modulation of Condensed Matter, School of Physics, Xi’an Jiaotong University, Xi’an 710049, Shaanxi, China

2. Research Center for Computational Science, Institute for Molecular Science, Nishigonaka 38, Myodaiji, Okazaki 444-8585, Japan

3. Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, Kyoto 615-8520, Japan

Funder

Ministry of Education, Culture, Sports, Science and Technology

Ministry of Education of the People's Republic of China

Japan Society for the Promotion of Science

National Natural Science Foundation of China

Natural Science Foundation of Shaanxi Province

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry