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Citation
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HERO ID
5845700
Reference Type
Journal Article
Title
The vibrational spectra of cis,cis-,trans,trans- and cis,trans-1,4-dichloro-1,3-butadiene
Author(s)
Gundersen, G; Klaeboe, P; Borg, A; Smith, Z
Year
1980
Volume
36
Issue
9
Page Numbers
843-852
URL
http://www.sciencedirect.com/science/article/pii/0584853980800845
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Abstract
The i.r. spectra of cis,cis,trans,trans and cis,trans-1,4-dichloro-1,3-butadiene were recorded in cyclohexane solution in the region 600-40 cm−1. Raman spectra, including polarization measurements of the neat liquids were obtained. Some previously unobserved fundamentals, particularly in the low frequency region, were assigned, and a few revisions in the earlier interpretations were made. Force fields containing 21 parameters for the cis,cis and the trans,trans compounds were constructed by transferring force constants from cis- and trans-1-chloro-1,3-butadiene. By mixing the force constants from these monochlorobutadienes a 29 parameter force field was derived for the cis,trans compound. The calculated r.m.s. amplitudes of vibration and perpendicular amplitude correction coefficients are presented.
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