Theoretical study of substituent effects on electride characteristics and the nonlinear optical properties of Li@calix[4]pyrrole-Reference-Cited by-同舟云学术

Theoretical study of substituent effects on electride characteristics and the nonlinear optical properties of Li@calix[4]pyrrole

Published:2019 Issue:65 Volume:9 Page:37919-37925
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Weng Hui¹²³⁴,Teng Yunyang¹²³⁴,Sheng Qi¹²³⁴,Zhou Zhongjun¹²³⁴⁵^ORCID,Huang Xuri¹²³⁴,Li Zhiru¹²³⁴,Zhang Tao⁵²³⁴

Affiliation:

1. Institute of Theoretical Chemistry

2. Jilin University

3. Changchun

4. People's Republic of China

5. College of Physics

Abstract

A relationship between the electride characteristics and the NLO properties is found: the more delocalization the excess electron of the electride experiences, the larger the β₀ value is.

Funder

China Postdoctoral Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2019/RA/C9RA08758C

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5. Electric Field Modulated Nonlinear Optical Properties of Donor-Acceptor Polyenes: Sum-Over-States Investigation of the Relationship between Molecular Polarizabilities (.alpha., .beta., and .gamma.) and Bond Length Alternation

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