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Moleküldynamik und Coriolis-Kopplungskoeffizienten einiger Hexafluoride oktaedrischer Symmetrie

Molecular dynamics and coriolis coupling coefficients in some hexafluorides of octahedral symmetry

  • Anorganische, Struktur- und Physikalische Chemie
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Monatshefte für Chemie / Chemical Monthly Aims and scope Submit manuscript

Abstract

The hexafluorides of sulfur, selenium, tellurium, molybdenum, technetium, ruthenium, rhodium, tungsten, rhenium, osmium, iridium, platinum, uranium, neptunium, and plutonium possessing an octaedral symmetry with the symmetry point group Oh have been briefly analyzed for the molecular structural data and the infrared absorption andRaman spectra. On the basis of group theoretical considerations, potential energy constants have been evaluated by employing a general harmonic force field. The L matrix elements connecting the internal coordinates and normal coordinates have been derived from the symmetrized force constants, G matrix elements, and vibrational frequencies. The Coriolis coupling coefficients of vibration-rotation have also been, in terms of the symmetrized force constants, G matrix elements, and vibrational frequencies, computed for these fifteen hexafluorides, and compared with the available values of experimental investigations. A brief discussion of the results follows.

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Authors and Affiliations

  1. Department of Physics and Astronomy, Valdosta State College, Valdosta, Georgia, USA

    G. Nagarajan & D. C. Brinkley

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  1. G. Nagarajan
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Diese Arbeit stellt einen Teil der Dissertation dar, die vonD. C. Brinkley zur Erlangung eines “Master of Science”-Grads an der Graduate School des Valdosta State College eingereicht wurde.

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Nagarajan, G., Brinkley, D.C. Moleküldynamik und Coriolis-Kopplungskoeffizienten einiger Hexafluoride oktaedrischer Symmetrie. Monatshefte für Chemie 104, 1183–1202 (1973). https://doi.org/10.1007/BF00910032

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  • DOI: https://doi.org/10.1007/BF00910032

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