Theoretical study on the second-order nonlinear optical properties and reorganization energy of silafluorenes and spirobisilafluorenes derivatives

2010 ◽  
Vol 128 (2) ◽  
pp. 249-256 ◽  
Author(s):  
Yanling Si ◽  
Guochun Yang
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Theoretical Study ◽  
Reorganization Energy ◽  
Second Order ◽  
Nonlinear Optical Properties

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...

Second-order nonlinear optical properties of [60]fullerene-fused dihydrocarboline derivates: a theoretical study on switch effect

2019 ◽  
Vol 7 (42) ◽  
pp. 13052-13058 ◽  
Author(s):  
Nana Ma ◽  
Mingyue Lv ◽  
Tongxin Liu ◽  
Mengxiao Song ◽  
Yan Liu ◽  
...  
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Theoretical Study ◽  
Theoretical Calculations ◽  
Second Order ◽  
Nonlinear Optical Properties ◽  
First Hyperpolarizability

The theoretical calculations show that [60]fullerene-fused dihydrocarboline derivatives exhibit significant first hyperpolarizability contrasts induced by their electrochemical feature.

Theoretical Study on Second-order Nonlinear Optical Properties of Substituted Thiazole Derivatives

2010 ◽  
Vol 19 (4) ◽  
pp. 332-339 ◽  
Author(s):  
Yong-Jun Liu ◽  
Ying Liu ◽  
Xian Zhao ◽  
Hai-Quan Hu ◽  
Dong-Ju Zhang ◽  
...  
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Theoretical Study ◽  
Second Order ◽  
Nonlinear Optical Properties ◽  
Thiazole Derivatives

Theoretical Study on the Considerable Second-Order Nonlinear Optical Properties of Naphthylimido-Substituted Hexamolybdates

2008 ◽  
Vol 112 (40) ◽  
pp. 9919-9923 ◽  
Author(s):  
Li-Kai Yan ◽  
Ming-Shun Jin ◽  
Jia Zhuang ◽  
Chun-Guang Liu ◽  
Zhong-Min Su ◽  
...  
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Theoretical Study ◽  
Second Order ◽  
Nonlinear Optical Properties

scholarly journals Theoretical study on the electronic structure and second-order nonlinear optical properties of benzannulated or selenophene-annulated expanded helicenes

RSC Advances ◽  
2019 ◽  
Vol 9 (30) ◽  
pp. 17382-17390 ◽  
Author(s):  
Li-jing Gong ◽  
Chun-yu Liu ◽  
Cheng Ma ◽  
Wan-feng Lin ◽  
Jin-kai Lv ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Dft Calculations ◽  
Nonlinear Optical ◽  
Theoretical Study ◽  
Second Order ◽  
Nonlinear Optical Properties

The nonlinear optical properties of the studied helicenes were studied with the aid of the DFT calculations.

Theoretical study on functionalized acrylonitrile compounds with a large second-order nonlinear optical response

2020 ◽  
Vol 44 (45) ◽  
pp. 19623-19629
Author(s):  
Lijing Gong ◽  
Cheng Ma ◽  
Tiejun Liu ◽  
Jinkai Lv ◽  
Xianchao Xun
Keyword(s):  
Optical Properties ◽  
Dft Calculations ◽  
Nonlinear Optical ◽  
Theoretical Study ◽  
Optical Response ◽  
Second Order ◽  
Nonlinear Optical Properties ◽  
Nonlinear Optical Response

The nonlinear optical properties of the studied compounds were studied with the help of DFT calculations.

scholarly journals Linear and second-order nonlinear optical properties of non-fullerene acceptor derivatives with A-D-A structure

2021 ◽  
Author(s):  
Lijing Gong ◽  
Jing Xu ◽  
Chunping Li ◽  
Xiangyu Zhang ◽  
Zhi Jiang
Keyword(s):  
Optical Properties ◽  
Double Bond ◽  
Nonlinear Optical ◽  
Near Infrared ◽  
Energy Gap ◽  
Reorganization Energy ◽  
Infrared Region ◽  
Hole Transport ◽  
Second Order ◽  
Nonlinear Optical Properties

In this paper, in order to study the relationship between structure and performance, four new NFA derivatives were designed based on the two reported NFA molecules BO-4Cl and BTP-S2 by replacing the BT unit with a less-electron deficient BTz unit and inserting another ethylene double bond between the central core and the terminal groups. The DFT and TD–DFT calculations were applied to invstigate linear and nonlinear optical properties, such as electronic structure, electronic absorption, reorganization energy and the second-order NLO properties. The investigation demonstrates that they are all narrow bandgap derivatives, the absorption spectrum extends to the near-infrared region and using two ethylene double bond is the most effective way to reduce the energy gap, redshift the maximum absorption peak and the middle absorption band, enhance hole transport ability and weaken electron transport ability and enhance second-order NLO response. Considering the smaller electron and hole reorganization energy and the larger static first hyperpolarizability value, the studied NFA derivatives have great potential to become ambipolar charge transport materials and large second-order NLO materials.

Theoretical study on the second-order nonlinear optical properties of gold (III) alkyl complexes

2009 ◽  
Vol 159 (21-22) ◽  
pp. 2406-2409 ◽  
Author(s):  
Chunsheng Qin ◽  
Guochun Yang ◽  
Liang Zhao ◽  
Shiling Sun ◽  
Yongqing Qiu ◽  
...  
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Theoretical Study ◽  
Second Order ◽  
Nonlinear Optical Properties ◽  
Alkyl Complexes
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