Articles written in Pramana – Journal of Physics
Volume 63 Issue 2 August 2004 pp 399-403
In this paper we report the results obtained from inelastic neutron scattering measurements on Zr2NiH1.9 and Zr2NiH4.6 using triple-axis spectrometer at Dhruva reactor, Trombay. The spectrum up to 35 meV represents largely the lattice modes of Zr and Ni atoms. The vibrational frequencies of hydrogen atoms are expected predominantly at higher energies. The phonon spectra from 35–180 meV were recorded using a Be filter as analyser. In order to analyse the observed neutron spectra, we assume a set of Ein-stein modes due to the hydrogen atoms which are delta functions in energy. These delta functions are broadened by the resolution of the instrument. The vibrational frequencies obtained from the fitting of the observed phonon spectra have been assigned to various tetrahedral sites in both the compounds.
Volume 68 Issue 5 May 2007 pp 875-880 Brief Reports
A complete normal coordinate analysis was performed for five-coordinate non-rigid triarylantimony diester SbPh3(O2CR2), known to be a bioactive molecule, using Wilson G-D matrix method and Urey Bradley force field. The study of vibrational dynamics was performed using the concept of group frequencies and band intensities.
Volume 69 Issue 4 October 2007 pp 675-680 Brief Reports
A complete normal coordinate analysis was performed by two different methods: a classical Wilson's G-F matrix method and the semi-empirical molecular orbital PM3 method, for a five coordinate tris(𝑝-fluorophenyl)antimony di(𝑁 -phenylglycinate) [(𝑝-FC6H4)3Sb(O2CCH2NHC6H5)2], known to be an in vitro antitumour molecule.
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