Health & Environmental Research Online (HERO)


Print Feedback Export to File
5845700 
Journal Article 
The vibrational spectra of cis,cis-,trans,trans- and cis,trans-1,4-dichloro-1,3-butadiene 
Gundersen, G; Klaeboe, P; Borg, A; Smith, Z 
1980 
36 
843-852 
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.