AN MNDO AND CNDO/S(S + DES CI) STUDY ON THE STRUCTURAL AND ELECTRONIC-PROPERTIES OF A MODEL SQUARAINE DYE AND RELATED CYANINE

被引：160

作者：

BIGELOW, RW ^{[1
]}

FREUND, HJ ^{[1
]}

机构：

[1] UNIV ERLANGEN NURNBERG,INST PHYS & THEORET CHEM,D-8520 ERLANGEN,FED REP GER

来源：

CHEMICAL PHYSICS | 1986年 / 107卷 / 2-3期

关键词：

D O I：

10.1016/0301-0104(86)85001-7

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：

引用

页码：159 / 174

页数：16

共 49 条

[1] EXCITED-STATES OF POLYENE RADICAL CATIONS - LIMITATIONS OF KOOPMANS THEOREM [J].

BALLY, T ;

NITSCHE, S ;

ROTH, K ;

HASELBACH, E .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (14) :3927-3933

[2] SOME STUDIES OF BENZENOID-QUINONOID RESONANCE .2. EFFECT OF SOLVENT POLARITY ON STRUCTURE AND PROPERTIES OF MEROCYANINE DYES [J].

BENSON, HG ;

MURRELL, JN .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1972, 68 (590) :137-&

[3] ELECTRONIC EXCITED-STATES OF NITROANILINES .2. CONFIGURATION INTERACTION STUDY AND UV SPECTRUM OF PARA-NITROANILINE SINGLE-CRYSTAL [J].

BERTINELLI, F ;

PALMIERI, P ;

BRILLANTE, A ;

TALIANI, C .

CHEMICAL PHYSICS, 1977, 25 (03) :333-341

[4]

BIGELOW RW, 1980, J CHEM PHYS, V73, P3864, DOI 10.1063/1.440573

[5] DISPLACEMENT OF MOLECULAR-ORBITALS DUE TO INTERACTION WITH CHARGED SPECIES [J].

BIGELOW, RW .

JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (06) :3139-3140

[6]

BIGELOW RW, 1983, J MOL STRUCT THEOCHE, V94, P391

[7]

CARSEY TP, 1979, J AM CHEM SOC, V101, P4502, DOI 10.1021/ja00510a013

[8] RADICALS - THEIR MOLECULAR-ORBITALS, PROPERTIES, AND REACTIVITY [J].

CARSKY, P ;

ZAHRADNIK, R .

ACCOUNTS OF CHEMICAL RESEARCH, 1976, 9 (11) :407-411

[9] BOND ORDER IN LCAO MOLECULAR-ORBITAL THEORY [J].

COHEN, I .

JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (12) :5076-+

[10]

DAHNE S, 1979, PHOTOGR SCI ENG, V23, P219

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