The First Hyperpolarizabilities of Merocarbocyanines

作     者：Peng WANG You Ming CHANG Yu XU Cheng YE (Organic Solid Lab., Institute of Chemistry, Chinese Academy of Sciences, Beijing 100080) 

作者机构：Organic Solid Lab. Institute of Chemistry Chinese Academy of Sciences Beijing 100080 China 

出 版 物：《Chinese Chemical Letters》 (中国化学快报（英文版）)

年 卷 期：1998年第9卷第7期

页      面：679-682页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070303[理学-有机化学] 0703[理学-化学] 

主　　题：hyperpolarizability merocarbocyanine solvatochromism AM1/FF SHG 

摘      要：The dot products mu(g)beta(CT) of first hyperpolarizability and ground state dipole moment of two merocarbocyanines were measured experimentally with solvatochromism and compared to the values obtained by AM1/FF calculation. The comparable result was also obtained by the measurement of second harmonic generation (SHG) for LB film of dye II. The mu(g)beta(CT) of dye II is larger than that of the well known NLO chromophore 4-N, N-dimethylamino-4 -nitrostilbene (DANS).