Study of the influence of stereoelectronic interactions on the vibrational frequencies of a series of peroxy fluorocarbooxygenated compounds

A.G.IRIARTE; G.A. ARGÜELLO

JOURNAL OF MOLECULAR STRUCTURE

ELSEVIER SCIENCE BV

Año: 2010 vol. 978 p. 20 - 25

0022-2860

Stereoelectronic effects were investigated in a series of peroxy fluorocarbooxygenated compounds,using experimental infrared data, theoretical calculations and NBO analysis. The influence of inductive,anomeric and mesomeric interactions over the C@O and OAO stretching vibrations were evaluated forall the molecules. The carbonylic stretching mode is mainly affected by the inductive interaction,while the lone pair delocalization LpO ! rOAC shows a stronger influence on the OAO stretchingvibrations. The mesomeric interaction is relevant in determining the planar geometry of the XC(O)Ogroup around the Csp2 atom