ABINITIO STUDY OF THE METHYL INTERNAL-ROTATION AND ALDEHYDE HYDROGEN WAGGING OF THIOACETALDEHYDE IN THE X1A' AND A3A'' STATES

被引：11

作者：

SMEYERS, YG

NINO, A

BELLIDO, MN

机构：

来源：

THEORETICA CHIMICA ACTA | 1988年 / 74卷 / 04期

关键词：

D O I：

10.1007/BF00530223

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：259 / 267

页数：9

共 19 条

[1] ABINITIO STUDY OF THE METHYL INTERNAL-ROTATION OF ACETALDEHYDE IN THE S1 (N,PI-STAR) STATE [J].

BABA, M ;

NAGASHIMA, U ;

HANAZAKI, I .

JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (07) :3514-3519

[2]

BABA M, 1985, J CHEM, V82, P3985

[3] THE SPECTROSCOPY OF FORMALDEHYDE AND THIOFORMALDEHYDE [J].

CLOUTHIER, DJ ;

RAMSAY, DA .

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1983, 34 :31-58

[4]

DEMARE GR, 1985, J MOL STRUC-THEOCHEM, V21, P15, DOI 10.1016/0166-1280(85)85087-9

[5] THE ULTRAVIOLET-ABSORPTION SPECTRUM OF THIOFORMALDEHYDE [J].

DRURY, CR ;

MOULE, DC .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1982, 92 (02) :469-484

[6] THE B1A2 [- X1A1 ABSORPTION-SPECTRUM OF THIOFORMALDEHYDE [J].

DRURY, CR ;

LAI, JYK ;

MOULE, DC .

CHEMICAL PHYSICS LETTERS, 1982, 87 (06) :520-522

[7] GEOMETRIES OF THE GROUND AND 1ST EXCITED TRIPLET-STATES OF THIOFORMALDEHYDE [J].

GODDARD, JD .

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1981, 59 (22) :3200-3203

[8] THIOKETONE SPECTROSCOPY - AN ANALYSIS OF THE LOWER ELECTRONIC-TRANSITIONS IN THIOACETONE AND THIOACETALDEHYDE [J].

JUDGE, RH ;

MOULE, DC ;

BRUNO, AE ;

STEER, RP .

CHEMICAL PHYSICS LETTERS, 1983, 102 (04) :385-389

[9] THIOCARBONYL SPECTROSCOPY - METHYL TORSIONAL VIBRATIONS AND INTERNAL ROTATIONAL BARRIERS OF THIOACETALDEHYDE IN ITS A3A'' AND X1A' STATES [J].

JUDGE, RH ;

MOULE, DC ;

BRUNO, AE ;

STEER, RP .

JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (01) :60-67

[10] MICROWAVE-SPECTRUM, SUBSTITUTION STRUCTURE, INTERNAL-ROTATION BARRIER, AND DIPOLE-MOMENT OF THIOACETALDEHYDE, CH3CHS [J].

KROTO, HW ;

LANDSBERG, BM .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1976, 62 (03) :346-363

← 1 2 →