ISSN:
0377-0486
Schlagwort(e):
Chemistry
;
Analytical Chemistry and Spectroscopy
Quelle:
Wiley InterScience Backfile Collection 1832-2000
Thema:
Chemie und Pharmazie
,
Physik
Notizen:
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.
Zusätzliches Material:
3 Ill.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1002/jrs.1250261203