ISSN:
0377-0486
Keywords:
Chemistry
;
Analytical Chemistry and Spectroscopy
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
,
Physics
Notes:
The Raman spectra of liquid 3-methylstyrene show pairs of bands whose temperature-dependent intensities clearly suggest the occurrence of a conformational equilibrium. From these bands, assigned to cis and trans conformers, a trans-cis energy difference of 0.8 + 0.2 kJ mol-1 was obtained for the liquid phase. On the other hand, ab initio calculations at the 3-21G** and MP2/3-21G* levels predict a cis form more stable than the trans form by less than 0.15 kJ mol-1, in good agreement with gas-phase literature results.
Additional Material:
3 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/jrs.1250261203
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