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Molecular Dynamics in Chlorine Compounds Using X-Ray Thermal Parameters and Nuclear Quadrupole Resonance Data

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Ramu L., Banu R., Rani S., Chandramani R.

Acta Physica Polonica A

2006

vol. 109

issue 6

775-779

Molecular dynamics (torsional frequencies) in several chlorine compounds were evaluated on the basis of X-ray thermal parameter data and nuclear quadrupole resonance data using Bayer's and Brown's approximation. It was found that the values obtained in both cases are in good agreement. The above approach is a good illustration of the supplementary nature of the data from X-ray studies in relation to nuclear quadrupole resonance studies of compounds in solid state.

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1 Acta Physica Polonica A

1 2006

1 Banu R.

1 Chandramani R.

1 Ramu L.

1 Rani S.

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Molecular Dynamics in Chlorine Compounds Using X-Ray Thermal Parameters and Nuclear Quadrupole Resonance Data