Premium
A simple method of calculation of vibrational spectra of long‐chain aliphatic compounds and their urea adducts
Author(s) -
Puchkovskaya Galina A.,
Sekirin Igor V.,
Aryutkitalya L.
Publication year - 1995
Publication title -
macromolecular symposia
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.257
H-Index - 76
eISSN - 1521-3900
pISSN - 1022-1360
DOI - 10.1002/masy.19950940119
Subject(s) - adduct , urea , hamiltonian (control theory) , spectral line , chemistry , computational chemistry , chain (unit) , lattice (music) , infrared spectroscopy , resonance (particle physics) , vibrational spectrum , molecule , organic chemistry , physics , atomic physics , mathematics , quantum mechanics , mathematical optimization , acoustics
A semi‐quantitative method for calculation of the LCAC's and their urea adducts vibrational spectra based on simple model Hamiltonian on the basis corresponding to excitations of fragments forming the studied system is proposed. A comparison with experimental spectra of LCAC's with different terminal groups and in different phase states is performed. It is shown that the effect of the built‐in incommensurability of polymethylene chain and urea lattice in adducts must manifest itself as additional broadening of some bands in the vibrational series of polymethylene chain. The manifestation of possible resonance of “host” and “guest” vibrations has also been analyzed.