Novel inorganic aromatic mixed-valent superalkali electride CaN3Ca: an alkaline-earth-based high-sensitivity multi-state nonlinear optical molecular switch-Reference-Cited by-同舟云学术

Novel inorganic aromatic mixed-valent superalkali electride CaN3Ca: an alkaline-earth-based high-sensitivity multi-state nonlinear optical molecular switch

Published:2020 Issue:10 Volume:22 Page:5985-5994
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Wang Yin-Feng¹²³⁴⁵^ORCID,Qin Tian¹²³⁴⁵,Tang Jia-Min¹²³⁴⁵,Liu Yan-Jiao¹²³⁴⁵,Xie Miao¹²³⁴⁵,Li Jia¹²³⁴⁵,Huang Jiangen¹²³⁴⁵,Li Zhi-Ru⁶⁷⁸⁹¹⁰^ORCID

Affiliation:

1. Jiangxi Province Key Laboratory of Coordination Chemistry

2. Institute of Applied Chemistry

3. School of Chemistry and Chemical Engineering

4. Jinggangshan University

5. Ji’an

6. Laboratory of Theoretical Computational Chemistry

7. Institute of Theoretical Chemistry

8. Jilin University

9. Changchun 130023

10. P. R. China

Abstract

Focusing on innovative high-performance single-pole double-throw nonlinear optical (NLO) molecular switches, two C_3v configurations (1 and 3) and one D_3h configuration (2) of bipyramidal CaN₃Ca have been obtained by using quantum mechanical methods.

Funder

National Natural Science Foundation of China

Jiangxi Provincial Department of Science and Technology

Education Department of Jiangxi Province

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/C9CP06848A

Reference67 articles.

1. Nonlinear Optical Molecular Switches as Selective Cation Sensors