Vibrational analysis of precursors of compounds of biomedical interest - 1. The case of 5-fluoro-1-indanone

Citation
Mf. Gomez et al., Vibrational analysis of precursors of compounds of biomedical interest - 1. The case of 5-fluoro-1-indanone, VIB SPECTR, 19(2), 1999, pp. 441-449
Citations number
26
Categorie Soggetti
Spectroscopy /Instrumentation/Analytical Sciences
Journal title
VIBRATIONAL SPECTROSCOPY
ISSN journal
09242031 → ACNP
Volume
19
Issue
2
Year of publication
1999
Pages
441 - 449
Database
ISI
SICI code
0924-2031(199904)19:2<441:VAOPOC>2.0.ZU;2-E
Abstract
The IR and Raman spectra of 5-fluoro-1-indanone have been measured at diffe rent temperatures and states of aggregation. A preliminary assignment of th e fundamentals is proposed. Also, in order to support this, a quadratic for ce field was built up starting from an ab initio set of force constants on the basis of a C-s molecular symmetry which was refined later on to fit the experimental observed vibrational frequencies. (C) 1999 Elsevier Science B .V. All rights reserved.