THE MOLECULAR-STRUCTURE OF THIANE-1-OXIDE FROM ELECTRON-DIFFRACTION

被引：16

作者：

FORGACS, G ^{[1
]}

HARGITTAI, I ^{[1
]}

JALSOVSZKY, I ^{[1
]}

KUCSMAN, A ^{[1
]}

机构：

[1] EOTVOS LORAND UNIV,DEPT ORGAN CHEM,H-1445 BUDAPEST,HUNGARY

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1991年 / 243卷 / 1-2期

基金：

匈牙利科学研究基金会;

关键词：

D O I：

10.1016/0022-2860(91)87030-L

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：

The molecular structure of thiane-1-oxide has been determined by gas-phase electron diffraction. According to the electron diffraction data the molecule has a chair conformation with C(s) symmetry. The oxygen atom takes axial position. The following bond distances (r(g) in angstrom) and bond angles (deg) were obtained (with estimated total errors): S-C, 1.816 +/- 0.004; (S)C-C(C), 1.538 +/- 0.003; (C)C-C(C), 1.539 +/- 0.003; S-O, 1.483 +/- 0.003; C-H, 1.123 +/- 0.003; S-C-C, 112.5 +/- 0.1; (S)C-C-C(C), 111.5 +/- 0.4; (C)C-C-C(C), 114.8 +/- 0.7; C-S-C, 91.1 +/- 0.7; O-S-C, 108.1 +/- 0.3.

引用

页码：123 / 130

页数：8

共 17 条

[1] CONFORMATIONAL-ANALYSIS .114. MOLECULAR MECHANICS STUDIES OF SULFOXIDES [J].

ALLINGER, NL ;

KAO, J .

TETRAHEDRON, 1976, 32 (05) :529-536

[2] PROCEDURE AND COMPUTER PROGRAMS FOR STRUCTURE DETERMINATION OF GASEOUS MOLECULES FROM ELECTRON DIFFRACTION DATA [J].

ANDERSEN, B ;

SEIP, HM ;

STRAND, TG ;

STOLEVIK, R .

ACTA CHEMICA SCANDINAVICA, 1969, 23 (09) :3224-&

[3] C-13 AND O-17 CHEMICAL-SHIFTS AND CONFORMATIONAL-ANALYSIS OF MONO-METHYL-SUBSTITUTED AND DI-METHYL-SUBSTITUTED THIANE 1-OXIDE AND THIANE 1,1-DIOXIDE [J].

BARBARELLA, G ;

DEMBECH, P ;

TUGNOLI, V .

ORGANIC MAGNETIC RESONANCE, 1984, 22 (06) :402-407

[4] MICROWAVE-SPECTRUM AND MOLECULAR-STRUCTURE OF TRIMETHYLENE SULFOXIDE - BENDS, TILTS AND TWISTS IN METHYLENE GROUPS [J].

BEVAN, JW ;

LEGON, AC ;

MILLEN, DJ .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1977, 354 (1679) :491-509

[5] MOLECULAR-STRUCTURE OF TETRAHYDROTHIOPHENE-1-OXIDE AND CIS-2-METHYLTETRAHYDROTHIOPHENE-1-OXIDE FROM ELECTRON-DIFFRACTION [J].

FORGACS, G ;

SCHULTZ, G ;

HARGITTAI, I ;

JALSOVSZKY, I ;

KUCSMAN, A .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1989, 85 :303-315

[6]

Hargittai I., 1985, STRUCTURE VOLATILE S

[7] MOLECULAR-STRUCTURE OF METHANE SULFONYL CHLORIDE AS STUDIED BY ELECTRON-DIFFRACTION [J].

HARGITTAI, M ;

HARGITTAI, I .

JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (05) :2513-2520

[8] INFRARED AND RAMAN-SPECTRA OF PENTAMETHYLENE SULFOXIDE [J].

HASE, Y ;

KAWANO, Y .

SPECTROSCOPY LETTERS, 1978, 11 (03) :161-171

[9] MOLECULAR-STRUCTURE OF TRIMETHYLENE SULFIDE AS STUDIED BY GAS ELECTRON-DIFFRACTION WITH JOINT USE OF ROTATIONAL CONSTANTS [J].

KARAKIDA, K ;

KUCHITSU, K .

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1975, 48 (06) :1691-1695

[10]

NAHLOVSKA Z, 1969, ACTA CHEM SCAND, V23, P3534

← 1 2 →