STATIC AND DYNAMIC 2ND HYPERPOLARIZABILITIES OF SUBSTITUTED PUSH-PULL POLYENES

被引：2
|
作者：
MATSUZAKI, Y
TANAKA, K
YAMABE, T
机构：
[1] KYOTO UNIV,FAC ENGN,DIV MOLEC ENGN,SAKYO KU,KYOTO 60601,JAPAN
[2] NIPPON STEEL CORP LTD,ADV MAT & TECHNOL RES LABS,NAKAHARA KU,KAWASAKI,KANAGAWA 211,JAPAN
[3] INST FUNDAMENTAL CHEM,SAKYO KU,KYOTO 606,JAPAN
来源：
CHEMICAL PHYSICS LETTERS | 1994年 / 230卷 / 4-5期
关键词：
D O I：
10.1016/0009-2614(94)01170-2
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Second hyperpolarizabilities (gamma) of multiply substituted push-pull polyenes are estimated employing model systems described by the Pariser-Parr-Pople (PPP) Hamiltonian. For several push-pull polyenes, relative contributions from three types of virtual transition processes to static gamma values are examined in terms of transition properties associated with crucial excited states. In case of centrosymmetrically substituted system, the excitation energies of certain one- and two-photon states can be controlled to realize the doubly resonant enhancement of gamma(-omega,omega,omega, -omega) by modifying the push-pull strength.
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页码：443 / 450
页数：8
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