INTERMOLECULAR HYDROGEN BONDING BETWEEN N-SUBSTITUTED CAPROAMIDES AND TETRAHYDROFURAN
B. Jović, A. Nikolić, B. Holló
Department of Chemistry, Faculty of Sciences, University of Novi Sad, Novi Sad, Serbia
branislav.jovic@dh.uns.ac.rs
Keywords: hydrogen bonding, N-substituted caproamide, tetrahydrofuran, DFT
Abstract
The results are reported of a study of hydrogen bonding between various N-substituted caproamides and tetrahydrofuran as an O-electron donor by means of FTIR spectroscopy. The spectroscopic characteristics for N—H…O hydrogen bonded complexes are given. The B3LYP functional with 6-31G** basis set has been used to calculate the structural parameters of the studied hydrogen bonded complexes. It can be assumed that both inductive and steric effects play an important role in the stability of these hydrogen bonded complexes.
|
