MOLECULAR-STRUCTURE OF (E)-CHLOROACETALDEHYDE OXIME BY GAS-PHASE ELECTRON-DIFFRACTION

被引：14

作者：

IIJIMA, K ^{[1
]}

MIWA, T ^{[1
]}

MATSUYOSHI, T ^{[1
]}

SAKAIZUMI, T ^{[1
]}

OHASHI, O ^{[1
]}

机构：

[1] SOPHIA UNIV,FAC SCI & TECHNOL,DEPT CHEM,CHIYODA KU,TOKYO 102,JAPAN

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1995年 / 352卷

关键词：

D O I：

10.1016/0022-2860(94)08507-E

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 gaseous (E)-chloroacetaldehyde oxime has been determined from electron diffraction data. The geometrical molecular parameters obtained, with estimated limits of error, are r(g)(C-Cl) = 1.799 +/- 0.002 Angstrom, r(g)(C-C) = 1.516 +/- 0.007 Angstrom, r(g)(C=N) = 1.287 +/- 0.003 Angstrom, r(g)(N-O) = 1.418 +/- 0.005 Angstrom, angle CCCl = 109.6 +/- 0.4 degrees, angle CCN = 116.4 +/- 0.7 degrees, angle CNO = 110.7 +/- 0.5 degrees and the torsional angle phi(NCCCl) = 123.2 +/- 1.4 degrees. A least-squares analysis of the data have given the fraction of the E-isomer in the gas phase to be 66 +/- 2% at 43 degrees C.

引用

页码：161 / 166

页数：6

共 17 条

[1] THEORETICAL-ANALYSIS OF THE BARRIER TO NITROGEN INVERSION IN N-FLUOROFORMIMINE AND FORMALDOXIME [J].

BACH, RD ;

WOLBER, GJ .

JOURNAL OF ORGANIC CHEMISTRY, 1982, 47 (02) :245-248

[2] EXTENDED STUDY OF ROTATIONAL SPECTRA OF CH2=N-CN AND CD2=N-CN AT CENTIMETER WAVELENGTHS [J].

BAK, B ;

SVANHOLT, H .

CHEMICAL PHYSICS LETTERS, 1980, 75 (03) :528-532

[3]

CYVIN SJ, 1968, MOL VIBRATIONS MEAN, pCH12

[4]

DUNSTAN WR, 1894, J CHEM SOC, V65, P206

[5] TORSIONAL FREQUENCIES IN THE FAR INFRARED .2. MOLECULES WITH 2 OR 3 METHYL ROTORS [J].

FATELEY, WG ;

MILLER, FA .

SPECTROCHIMICA ACTA, 1962, 18 (07) :977-993

[6] TORSIONAL FREQUENCIES IN THE FAR INFRARED .1. MOLECULES WITH A SINGLE METHYL ROTOR [J].

FATELEY, WG ;

MILLER, FA .

SPECTROCHIMICA ACTA, 1961, 17 (08) :857-868

[7] CONFIGURATIONAL AND CONFORMATIONAL PREFERENCES IN OXIMES AND OXIME CARBANIONS - ABINITIO STUDY OF THE SYN EFFECT IN REACTIONS OF OXYIMINE ENOLATE EQUIVALENTS [J].

GLASER, R ;

STREITWIESER, A .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1989, 111 (19) :7340-7348

[8]

HIRANO T, 1989, JCPE NEWSLETTER, V1, P10

[9] MOLECULAR-STRUCTURE AND INTERNAL-ROTATION OF (Z)-(PROPIONALDEHYDE OXIME) BY GAS-PHASE ELECTRON-DIFFRACTION AND MICROWAVE SPECTROSCOPY [J].

IIJIMA, K ;

OHASHI, O .

JOURNAL OF MOLECULAR STRUCTURE, 1993, 291 (2-3) :159-165

[10] MOLECULAR-STRUCTURE AND INTERNAL-ROTATION OF (Z)-CHLOROACETALDEHYDE OXIME BY GAS-PHASE ELECTRON-DIFFRACTION [J].

IIJIMA, K ;

HANAMORI, T ;

SAKAIZUMI, T ;

OHASHI, O .

JOURNAL OF MOLECULAR STRUCTURE, 1993, 299 :149-153

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