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

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.