External electric field driven conformation transition between lithium salts and electride-like molecules: intriguing NLO switches in Li@corannulene-Reference-Cited by-同舟云学术

External electric field driven conformation transition between lithium salts and electride-like molecules: intriguing NLO switches in Li@corannulene

Published:2024 Issue:34 Volume:26 Page:22388-22394
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Gan Ping-yao¹²,Huang Xiao¹²,Liu Wen-bo¹²,Gao Feng-wei¹²^ORCID,Su Zhong-min²³^ORCID

Affiliation:

1. Chongqing Research Institute, Changchun University of Science and Technology, No. 618 Liangjiang Avenue, Longxing Town, Yubei District, Chongqing City 401135, China

2. School of Chemistry and Environmental Engineering, Changchun University of Science and Technology, 7989 Weixing Road, Changchun 130012, China

3. State Key Laboratory of Supramolecular Structure and Materials, Institute of Theoretical Chemistry, College of Chemistry, Jilin University, Changchun 130021, China

Abstract

Conformation transition of the Li@corannulene system is from lithiation salts to electride-like molecules under an external electric field, the hyperpolarizabilities (βtot) have been improved significantly.

Funder

Education Department of Jilin Province

National Natural Science Foundation of China

Department of Science and Technology of Jilin Province

Natural Science Foundation of Chongqing Municipality

Changchun University of Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D3CP04595A

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4. Switchable Nonlinear Optical Properties of η5-Monocyclopentadienylmetal Complexes: A DFT Approach