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Internal Dynamics of Norethisterone by NMR, IINS and QC Methods

Journal Solid State Phenomena (Volume 112)
Volume Materials in Transition
Edited by Ludwik Dobrzynski and Krystyna Perzynska
Pages 93-100
DOI 10.4028/www.scientific.net/SSP.112.93
Online since May, 2006
Authors Krystyna Holderna-Natkaniec, Ireneusz Natkaniec, Kazimierz Jurga, Dorota Nowak, Andrzej Szyczewski
Keywords Internal Dynamics of Methyl Group, Steroids Compounds, Vibrational Spectoscopy
Abstract The low-temperature inelastic incoherent neutron scattering spectrum of norethisterone was compared with that calculated by the density functional theory method. The quantum chemical calculations permitted proposing the assignment of the vibrational modes. In particular, the dynamics of the methyl group substituted at C(13) of the steroid skeleton was analysed on the basis of the neutron scattering spectra and temperature dependence of the spin-lattice relaxation time (1H NMR).
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