C. Parlak
Mar 11, 2010
Citations
0
Influential Citations
56
Citations
Journal
Journal of Molecular Structure
Abstract
Abstract FT-IR and Raman spectra together with the vibrational spectral assignments between 4000 and 400 cm −1 of 4-(1-Pyrrolidinyl)piperidine (4-pypp) have been reported. The optimized structural parameters (bond lengths, bond and dihedral angles), normal mode frequencies and corresponding vibrational assignments of 4-pypp (C 9 H 18 N 2 ) have been theoretically examined by means of B3LYP density functional method with 6-31G(d) basis set. Infrared intensity and Raman activities have also been calculated and reported. Theoretical results have been successfully compared against obtained experimental data.