Theoretical Study of the Substituent Effects on the Nonlinear Optical Properties of a Room-Temperature-Stable Organic Electride

ChemPhysChem ◽  
2016 ◽  
Vol 17 (23) ◽  
pp. 3907-3915 ◽  
Author(s):  
Wei-Ming Sun ◽  
Xiang-Hui Li ◽  
Ying Li ◽  
Bi-Lian Ni ◽  
Jing-Hua Chen ◽  
...  
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Room Temperature ◽  
Theoretical Study ◽  
Substituent Effects ◽  
Nonlinear Optical Properties

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

RSC Advances ◽  
2019 ◽  
Vol 9 (65) ◽  
pp. 37919-37925 ◽  
Author(s):  
Hui Weng ◽  
Yunyang Teng ◽  
Qi Sheng ◽  
Zhongjun Zhou ◽  
Xuri Huang ◽  
...  
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Theoretical Study ◽  
Substituent Effects ◽  
Nonlinear Optical Properties ◽  
Excess Electron ◽  
Nlo Properties

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.

Second-order nonlinear optical properties of two chalcone derivatives: insights from sum-over-states

2021 ◽  
Author(s):  
Jean Custodio ◽  
Giulio Demetrius Creazo d'Oliveira ◽  
Fernando Gotardo ◽  
Leandro Cocca ◽  
Leonardo De Boni ◽  
...  
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Theoretical Study ◽  
Second Order ◽  
Nonlinear Optical Properties ◽  
Chalcone Derivatives

In the following study, a combined experimental and theoretical study of the nonlinear optical properties (NLO) of two chalcone derivatives, (E)-3-(2-methoxyphenyl)-1-(2-(phenylsulfonylamine)phenyl)prop-2-en-1-one (MPSP) and (E)-3-(3-nitrophenyl)-1-(2-(phenylsulfonylamine)phenyl)prop-2-en-1-one (NPSP) in DMSO is reported. Single...

Theoretical study on the nonlinear optical properties of MX-chain

1994 ◽  
Author(s):  
Z. Shuai ◽  
J.M. Toussaint ◽  
J.L. Bredas ◽  
A. Saxena ◽  
A.R. Bishop
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Theoretical Study ◽  
Nonlinear Optical Properties

The influence of M…M attraction on nonlinear optical properties of (XMPH3)2(X = F, Cl; and M = Au, Ag and Cu): A theoretical study

2009 ◽  
pp. NA-NA ◽  
Author(s):  
Shi-Ling Sun ◽  
Guo-Chun Yang ◽  
Chun-Sheng Qin ◽  
Yong-Qing Qiu ◽  
Li-Kai Yan ◽  
...  
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Theoretical Study ◽  
Nonlinear Optical Properties

scholarly journals Theoretical Study of Effect of the Number of N,N-dimethyl-4-nitroaniline Units in Novel “Parallel Connection” Chromophores on Its Nonlinear Optical Properties

2012 ◽  
Vol 2012 ◽  
pp. 1-8 ◽  
Author(s):  
Chao-Zhi Zhang ◽  
Hui Cao ◽  
Zhao-Bing Guo
Keyword(s):  
Optical Properties ◽  
Absorption Maximum ◽  
Nonlinear Optical ◽  
Theoretical Study ◽  
Semiempirical Method ◽  
Nonlinear Optical Properties ◽  
Optical Transparency ◽  
First Hyperpolarizability ◽  
Parallel Connection

Design of “parallel connection” chromophores could give a way of acquiring effective chromophores. The semiempirical method ZINDO was employed to study relationship between static first hyperpolarizabilities of “parallel connection” chromophores and the number of parallel nonconjugated N,N-dimethyl-4-nitroaniline (DMNA) units in the chromophore. The results show that the chromophore containing three parallel non-conjugated DMNA units exhibits the highest static first hyperpolarizability, which is 1.8 times that of chromophore DMNA. However, static first hyperpolarizabilities of the chromophores containing four or five DMNA units are very small. The absorption maximum wavelength (λmax) of “parallel connection” chromophores is remarkably shorter (34.9 nm–38.1 nm) than that of 1DMNA. Therefore, the “parallel connection” chromophore containing three DMNA units would be an effective chromophore with a large first hyperpolarizability and a good optical transparency. It could give a useful suggestion for designing effective chromophores containing parallel non-conjugated D-π-A units.

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