The unified quantum mechanical structure of tubular molecular rotors with multiple equivalent global minimum structures: the 18*C2h → D9d case of La-[B2@B18]-La-Reference-Cited by-同舟云学术

The unified quantum mechanical structure of tubular molecular rotors with multiple equivalent global minimum structures: the 18*C2h → D9d case of La-[B2@B18]-La

Published:2021 Issue:35 Volume:23 Page:19146-19149
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Lu Xiao-Qin¹²,Man Yuan¹³,Ruß Vincent⁴,Xu Yonghong¹,Yang Yonggang¹³^ORCID,Li Si-Dian²^ORCID

Affiliation:

1. State Key Laboratory of Quantum Optics and Quantum Optics Devices, Institute of Laser Spectroscopy, Shanxi University, Taiyuan 0300006, China

2. Nanocluster Laboratory, Institute of Molecular Science, Shanxi University, Taiyuan 030006, China

3. Collaborative Innovation Center of Extreme Optics, Shanxi University, Taiyuan 030006, China

4. Institut für Chemie und Biochemie, Freie Universiät Berlin, 14195 Berlin, Germany

Abstract

From 18 equivalent global minimum structures of a tubular rotor with a low symmetry (C2h) to a unified quantum structure with a high symmetry (D9d).

Funder

National Natural Science Foundation of China

National Key Research and Development Program of China

Higher Education Discipline Innovation Project

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP02980K

Reference32 articles.

1. Predicting lanthanide boride inverse sandwich tubular molecular rotors with the smallest core–shell structure

2. Observation of a metal-centered B2-Ta@B18−tubular molecular rotor and a perfect Ta@B20−boron drum with the record coordination number of twenty

3. Fluxional Bonds in Tubular Molecular Rotors B3-[Ta@B18] and B4-[Ta@B18]+ in 18-Electron Configurations

4. B19−: An Aromatic Wankel Motor

5. A concentric planar doubly π-aromatic B19− cluster

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Restriction on molecular fluxionality by substitution: A case study for the 1,10‐dicyanobullvalene;Journal of Computational Chemistry;2024-05-14

2. Do we need delocalised wavefunctions for the excited state dynamics of 1,1-difluoroethylene?;Canadian Journal of Chemistry;2023-09-01