Internal dynamics of norethisterone by NMR, IINS and QC methods
Hołderna-Natkaniec K.1, Natkaniec I.2,3, Jurga K.1, Nowak D.1, Szyczewski A.1
- 1Departament of Physics Adam Mickiewicz University, Poznan, Poland
- 2Joint Institute for Nuclear Research, Dubna, Russian Federation
- 3H Niewodniczanski Institute for Nuclear Physics Polish Academy of Sciences, Krakow, Poland
Solid State Phenomena, 112, pp.93-100, 2006
DOI:: 10.4028/www.scientific.net/SSP.112.93
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). © (2006) Trans Tech Publications, Switzerland.
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