Praveenkumar Boopalachandran, J. Laane
Sep 1, 2011
Citations
0
Influential Citations
21
Citations
Journal
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Abstract
The infrared and Raman spectra of liquid and vapor-phase 2-fluoropyridine and 3-fluoropyridine have been recorded and assigned. Ab initio and DFT calculations were carried out to compute the molecular structures and to verify the vibrational assignments. The observed and calculated spectra agree extremely well. The ring bond distances of the fluoropyridines are very similar to those of pyridine except for a shortening of the C-N(F) bond in 2-fluoropyridine. The C-F bond stretching frequencies are similar to that in fluorobenzene reflecting the influence of the ring π bonding.