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

Xiao-Qin Lu; Yuan Man; Vincent Ruß; Yonghong Xu; Yonggang Yang; Si-Dian Li

doi:10.1039/D1CP02980K

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The unified quantum mechanical structure of tubular molecular rotors with multiple equivalent global minimum structures: the 18*C_2h → D_9d case of La-[B₂@B₁₈]-La†

Xiao-Qin Lu,^ab Yuan Man,^ac Vincent Ruß,^d Yonghong Xu,^a Yonggang Yang

*^ac and Si-Dian Li

*^b

Author affiliations

* Corresponding authors

^a State Key Laboratory of Quantum Optics and Quantum Optics Devices, Institute of Laser Spectroscopy, Shanxi University, Taiyuan 0300006, China
E-mail: ygyang@sxu.edu.cn

^b Nanocluster Laboratory, Institute of Molecular Science, Shanxi University, Taiyuan 030006, China
E-mail: lisidian@sxu.edu.cn

^c Collaborative Innovation Center of Extreme Optics, Shanxi University, Taiyuan 030006, China

^d Institut für Chemie und Biochemie, Freie Universiät Berlin, 14195 Berlin, Germany

Abstract

La-[B₂@B₁₈]-La demonstrates decisive changes of the properties of molecular rotors, from multiple (here 18) equivalent individual global minimum structures to a quantum mechanical unified structure. This affects their geometries, their symmetries (18*C_2h → D_9d), the generation of energy bands, and high-resolution spectroscopy.

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Article information

DOI: https://doi.org/10.1039/D1CP02980K
Article type: Communication
Submitted: 01 Jul 2021
Accepted: 18 Aug 2021
First published: 18 Aug 2021

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Phys. Chem. Chem. Phys., 2021,23, 19146-19149

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The unified quantum mechanical structure of tubular molecular rotors with multiple equivalent global minimum structures: the 18*C_2h → D_9d case of La-[B₂@B₁₈]-La

X. Lu, Y. Man, V. Ruß, Y. Xu, Y. Yang and S. Li, Phys. Chem. Chem. Phys., 2021, 23, 19146 DOI: 10.1039/D1CP02980K

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