Theoretical and experimental vibrational spectroscopic study of 4-(1-Pyrrolidinyl)piperidine
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Add time:07/14/2019 Source:sciencedirect.com
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 (C9H18N2) 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.
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