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HERO ID
8609740
Reference Type
Journal Article
Title
Molecular structure of ethyl chloride
Author(s)
Schwendeman, RH; Jacobs, GD
Year
1962
Is Peer Reviewed?
Yes
Journal
Journal of Chemical Physics
ISSN:
0021-9606
EISSN:
1089-7690
Volume
36
Issue
5
Page Numbers
1245-1250
Language
English
DOI
10.1063/1.1732721
Abstract
The microwave spectra of C13H3CH2Cl 35, CH3C13H2Cl35, CH 3CD2Cl35, and CH2DCH 2Cl35 have been examined and rotational constants assigned. Both a-type and b-type spectra have been observed. From these spectra and those previously reported for CH3CH2Cl35, CH3CH2Cl37, and CH2DCH 2Cl35 a complete structure has been obtained by means of the substitution method. The bond distances and bond angles obtained are as follows: CC = 1.520 A, CCl= 1.788 A, CH (methyl) = 1.091 A, CH(methylene) =1.089 A, CCCl=111°2â², HCH (methyl) = 108°30â², HCH (methylene) = 109°12â², CCH (methylene) = 111°36â². The quadrupole coupling parameters and barrier to internal rotation have been re-evaluated in terms of the above structure. The quadrupole coupling parameters are Ï bond=- 68.80 Me and ηbond = 0.035, if the angle between the a axis and the CCl bond is determined from the structure; or Ïbond= -71.24 Mc, if a cylindrical charge distribution is assumed near the chlorine nucleus. The barrier to internal rotation is 3685 cal/mole.
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