THE LOWEST TRIPLET-STATE OF 1,3,5-HEXATRIENES - QUANTUM CHEMICAL FORCE-FIELD CALCULATIONS AND EXPERIMENTAL RESONANCE RAMAN-SPECTRA

被引：61

作者：

NEGRI, F

ORLANDI, G

BROUWER, AM

LANGKILDE, FW

WILBRANDT, R

机构：

[1] UNIV AMSTERDAM, ORGAN CHEM LAB, 1018 WS AMSTERDAM, NETHERLANDS

[2] RISO NATL LAB, DEPT CHEM, DK-4000 ROSKILDE, DENMARK

来源：

JOURNAL OF CHEMICAL PHYSICS | 1989年 / 90卷 / 11期

关键词：

D O I：

10.1063/1.456361

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：5944 / 5963

页数：20

共 54 条

[1] MOLECULAR-ORBITAL THEORY FOR EXCITED-STATES OF TRANSITION-METAL COMPLEXES [J].

ARMSTRONG, DR ;

PERKINS, PG ;

STEWART, JJP ;

FORTUNE, R .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1972, 68 (11) :1839-+

[2]

BOCK CW, 1984, J MOL STRUC-THEOCHEM, V18, P1, DOI 10.1016/0166-1280(84)80130-X

[3] AB INITIO STRUCTURES AND VIBRATIONAL ANALYSIS OF 2 PLANAR CONFIGURATIONS OF 1,3,5-HEXATRIENE [J].

BOCK, CW ;

PANCHENKO, YN ;

KRASNOSHCHIOKOV, SV ;

PUPYSHEV, VI .

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1986, 33 (1-2) :131-140

[4] GEOMETRIES OF 1ST TRIPLET-STATES OF LINEAR POLYENES [J].

BONACICKOUTECKY, V ;

SHINGOISHIMARU .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (25) :8134-8140

[5] DEUTERIUM-ISOTOPE EFFECTS IN THE PHOTOCHEMISTRY OF 2,5-DIMETHYLHEXATRIENES AND 2,5-DI-TERT-BUTYL-1,3,5-HEXATRIENES [J].

BROUWER, AM ;

CORNELISSE, J ;

JACOBS, HJC .

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 1988, 42 (2-3) :313-320

[6] THE ELECTRONIC STRUCTURE OF CONJUGATED SYSTEMS .1. GENERAL THEORY [J].

COULSON, CA ;

LONGUETHIGGINS, HC .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1947, 191 (1024) :39-60

[7]

DELBENE J, 1968, J CHEM PHYS, V48, P1807

[8]

Duschinsky F, 1937, ACTA PHYSICOCHIM URS, V7, P551

[9] MAGNETIC PETURBATION OF SINGLET-TRIPLET TRANSITIONS .4. UNSATURATED COMPOUNDS [J].

EVANS, DF .

JOURNAL OF THE CHEMICAL SOCIETY, 1960, (APR) :1735-1745

[10]

FOGARASI G, 1987, J MOL STRUC-THEOCHEM, V36, P341, DOI 10.1016/0166-1280(87)85069-8

← 1 2 3 4 5 6 →