Quantum chemical calculations and experimental studies of third-order nonlinear optical properties of conjugated TTF–quinones

2013 ◽  
Vol 36 (1) ◽  
pp. 22-26 ◽  
Author(s):  
A. Karakas ◽  
A. Migalska-Zalas ◽  
Y. El Kouari ◽  
A. Gozutok ◽  
M. Karakaya ◽  
...  
2000 ◽  
Vol 660 ◽  
Author(s):  
B. Sahraoui ◽  
K.J. Pluciński ◽  
M. Makowaska-Janusik ◽  
I. V. Kityk ◽  
M. Salle ◽  
...  

ABSTRACTA study was made of third-order nonlinear optical susceptibilities of new tetrathiafulvalene (TTF) derivatives, using the degenerate four wave mixing (DFWM) method, as well as complex quantum chemical calculations. To understand the physical nature of the optical nonlinearities, we separated their electronic and nuclear contributions. We found that the electronic contribution to these nonlinearities predominated. Our investigations suggest that TTF may be a highly promising material for nonlinear optics (NLO).


2019 ◽  
Vol 43 (34) ◽  
pp. 13616-13629
Author(s):  
Muhammed Jeneesh Kariyottu Kuniyil ◽  
Ramanathan Padmanaban

Here we investigate the structural, photophysical and nonlinear optical (NLO) properties of phenoxazin-3-one dyes, resazurin (Rz) and resorufin (Rf), by performing quantum chemical calculations using the DFT and TDDFT methods.


2021 ◽  
Author(s):  
Guifen Lu ◽  
Peng Zhang ◽  
Yuanyuan Fang ◽  
Yongjie Gao ◽  
Qikang Hu

A series of trans-A2B cobalt corroles, represented as [Cor(p-RPh)2(p-NO2Ph)]Co(PPh3) (1-5), where Cor is trianion of corrole, R is a CN, F, CH3, C(CH3)3 or PhCH2O on the para-position of the...


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