ISSN:
0377-0486
Keywords:
Chemistry
;
Analytical Chemistry and Spectroscopy
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
,
Physics
Notes:
The Raman (3200-30 cm-1) and infrared (3200-50 cm-1) spectra of 1,1-dichloromethyl methyl ether are reported for the gas, liquid, amorphous solid and annealed polycrystalline solid. These spectral data were interpreted on the basis that in the fluid phases there is a mixture of trans and gauche conformers but only the trans conformer remains in the annealed solid. From the temperature-dependent relative intensity of Raman bands at 379 and 427 cm-1 in the liquid, an enthalpy difference of 656 ± 84 cm-1 (1.88 ± 0.24 kcal mol-1 or 7.85 ± 1.0 kJ mol-1) was obtained with the trans conformer the more stable form. Complete vibrational assignments are made for the much more abundant trans form, and a number of fundamentals are assigned for the gauche conformer with the aid of ab initio computations made with the 3-21G and 6-31G* basis sets. The harmonic force fields obtained using the 3-21G basis set are reported for both conformers together with scaled and unscaled wavenumbers and the accompanying potential energy distributions. The results are compared with the corresponding quantities obtained for some similar molecules.
Additional Material:
10 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/jrs.1250250903
Permalink
