Second-order nonlinear optical properties of eight-membered centrosymmetric cyclic borasiloxanes

2019 ◽  
Vol 43 (27) ◽  
pp. 10948-10958
Author(s):  
Mohan Gopalakrishnan ◽  
Thamodharan Viswanathan ◽  
Ezhumalai David ◽  
Krishnan Thirumoorthy ◽  
Nattamai S. P. Bhuvanesh ◽  
...  

SHG efficiencies of eight-membered centrosymmetric cyclic borasiloxanes arise form distorted silicon atom, strong electron withdrawing group and non-covalent interactions in crystal packing.

2013 ◽  
Vol 683 ◽  
pp. 110-115 ◽  
Author(s):  
Zhan Rong He ◽  
Zi Ran Chen ◽  
You Hui Xu

Six modules (Y1~Y6) containing Y-type s-triazine based derivatives were optimized using density functional theory at B3LYP/6-31+G* level. On the basis of the optimized structure, electronic absorption spectrum was calculated with TD-DFT(TDB3LYP/6-31+G*) and the second-order nonlinear optical properties (NLO) were calculated with finite field (FF) method and coded programs. The results indicated that these molecules had good nonlinear optical properties with 106 order of magnitude a.u. (10-27 esu) of 0 value. Introducing different electron groups to the end of the tri-branched chain of this derivative would cause different results. Introduction of strong electron donating group would make a relatively large increase of u thus improving their second-order nonlinear optical properties, and making this derivative a good non-linear optical material.


Author(s):  
Jean Custodio ◽  
Giulio Demetrius Creazo d'Oliveira ◽  
Fernando Gotardo ◽  
Leandro Cocca ◽  
Leonardo De Boni ◽  
...  

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...


2021 ◽  
Vol 446 ◽  
pp. 214113
Author(s):  
Alessia Colombo ◽  
Claudia Dragonetti ◽  
Véronique Guerchais ◽  
Dominique Roberto

2014 ◽  
Vol 1031 ◽  
pp. 7-12 ◽  
Author(s):  
Hongjuan Song ◽  
Mengying Zhang ◽  
Hailing Yu ◽  
Cunhuan Wang ◽  
Haiyan Zou ◽  
...  

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