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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
作者单位E-mail
李晶 曲阜师范大学物理工程学院, 曲阜 273165  
王传奎 山东师范大学物理与电子科学学院, 济南 250014  
宋玉志 山东师范大学物理与电子科学学院, 济南 250014 yzsong@sdnu.edu.cn 
摘要:
关键词:  
DOI:10.1063/1674-0068/30/cjcp1607142
分类号:
基金项目: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.
Solvent Effects on Two-Photon Absorption of Alkyne and Alkene π-bridging Chromophores
Jing Li,Chuan-kui Wang,Yu-zhi Song
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