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Vibrational analysis of urea

Authors :
Keuleers, R.
Desseyn, H.O.
Rousseau, B.
Van Alsenoy, C.
Source :
Journal of Physical Chemistry A. June 17, 1999, Vol. 103 Issue 24, p4621, 1 p.
Publication Year :
1999

Abstract

The vibrational spectrum of urea was interpreted by measuring the solid state infrared spectra of eight isotopomers of urea at room temperature and at -196 degrees C., and Raman spectra at room temperature and at -120 degrees C, and of a urea-water solution. Force field computations on isolated urea and on urea in its crystal structure, at the Hartree-Fock level with a 6-21++G** basis set, were also employed. High-pressure measurements utilizing a diamond anvil cell were observed not to be useful.

Details

ISSN :
10895639
Volume :
103
Issue :
24
Database :
Gale General OneFile
Journal :
Journal of Physical Chemistry A
Publication Type :
Academic Journal
Accession number :
edsgcl.55295388