SOLVENT MODULATION OF THE 1ST HYPERPOLARIZABILITY OF DMABN - AN APPROXIMATE THEORETICAL-ANALYSIS

被引:11
作者
SEN, R
MAJUMDAR, D
BHATTACHARYYA, SP
机构
[1] Department of Physical Chemistry, Indian Association for the Cultivation of Science, Jadavpur, Calcutta
关键词
D O I
10.1016/0009-2614(92)85170-F
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
An approximate molecular orbital theoretical calculation of the solvent modulation of the frequency-dependent first hyperpolarizability beta(omega) of p-dimethylaminobenzonitrile (DMABN) shows a significant solvent polarity effect, especially in the low dielectric constant (epsilon) region. The zero-frequency beta turns out to be a quadratic function of the solvent polarity function f(epsilon).
引用
收藏
页码:443 / 446
页数:4
相关论文
共 10 条
[1]  
BOTTCHER CJF, 1983, THEORY ELECTRIC POLA, V1
[2]  
CHEMLA DS, 1987, NONLINEAR OPTICAL PR, V1
[3]  
DELBENE J, 1968, J CHEM PHYS, V48, P1807
[4]   GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS [J].
DEWAR, MJS ;
THIEL, W .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4899-4907
[5]   CALCULATION OF THE 2ND-ORDER ELECTRONIC POLARIZABILITIES OF SOME ORGANIC-MOLECULES .1. [J].
DOCHERTY, VJ ;
PUGH, D ;
MORLEY, JO .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1985, 81 (AUG) :1179-1192
[6]   TWISTED INTRAMOLECULAR CHARGE-TRANSFER OF PARA-(N,N-DIMETHYLAMINO)BENZONITRILE - AN APPROXIMATE QUANTUM-MECHANICAL STUDY INCLUDING SOLVATION EFFECTS [J].
MAJUMDAR, D ;
SEN, R ;
BHATTACHARYYA, K ;
BHATTACHARYYA, SP .
JOURNAL OF PHYSICAL CHEMISTRY, 1991, 95 (11) :4324-4329
[7]   HYPERPOLARIZABILITIES OF NITROANILINES AND THEIR RELATIONS TO EXCITED-STATE DIPOLE-MOMENT [J].
OUDAR, JL ;
CHEMLA, DS .
JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (06) :2664-2668
[8]   OPTICAL NONLINEARITIES OF CONJUGATED MOLECULES - STILBENE DERIVATIVES AND HIGHLY POLAR AROMATIC-COMPOUNDS [J].
OUDAR, JL .
JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (02) :446-457
[9]   HYPERPOLARIZABILITIES OF TWISTED-INTRAMOLECULAR-CHARGE-TRANSFER (TICT) MOLECULES - A CASE-STUDY ON P-DIMETHYLAMINOBENZONITRILE (DMABN) AND P-DIMETHYLAMINONITROSOBENZENE (DMANB) [J].
SEN, R ;
MAJUMDAR, D ;
BHATTACHARYYA, SP ;
BHATTACHARYYA, SN .
CHEMICAL PHYSICS LETTERS, 1991, 181 (04) :288-292
[10]   DISPERSION OF THE NONLINEAR 2ND-ORDER OPTICAL SUSCEPTIBILITY OF ORGANIC-SYSTEMS [J].
TENG, CC ;
GARITO, AF .
PHYSICAL REVIEW B, 1983, 28 (12) :6766-6773