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Solvent Effects on Two-Photon Absorption of Alkyne and Alkene π-bridging Chromophores
Jing Li,Chuan-kui Wang,Yu-zhi Song
Author NameAffiliationE-mail
Jing Li College of Physics and Engineering, Qufu Normal University, Qufu 273165, China  
Chuan-kui Wang School of Physics and Electronics, Shandong Normal University, Jinan 250014, China  
Yu-zhi Song School of Physics and Electronics, Shandong Normal University, Jinan 250014, China yzsong@sdnu.edu.cn 
Abstract:
The present work concerns the study of solvent effects on the geometrical structures, as well as one- and two-photon absorption (TPA) processes, for two series of alkyne and alkene π-bridging molecules, within the framework of the polarization continuum model. Particular emphasis was put on the characterization of solvent effects on the molecular geometrical structures and geometric distortion, which were measured by the bond-length-alternation parameter. The π centres in the compounds are seen to play a decisive role in increasing the TPA cross section and nonlinear optical properties. All studied molecules have relatively strong TPA characteristics, while the alkyne π-bridging ones yield larger TPA cross sections.
Key words:  Nonlinear optics  Two photon absorption  Solvent effect  Charge transfer  Bond length alternation
FundProject:This work was supported by the National Natural Science Foundation of China (No.11604179 and No.11304185),Shandong Natural Science Foundation (No.ZR2016AQ18).The National Supercomputer Center (NSC) in Linköping,Sweden,for grants in terms of CPU time is appreciated.
烯/炔基有机共轭分子双光子吸收特性的理论研究-溶剂效应
李晶,王传奎,宋玉志
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DOI:10.1063/1674-0068/30/cjcp1607142
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