Intermolecular Potential for Carbon Tetrafluoride
- 1 January 1979
- journal article
- research article
- Published by Taylor & Francis in Molecular Crystals and Liquid Crystals
- Vol. 55 (1) , 101-108
- https://doi.org/10.1080/00268947908069794
Abstract
An attempt has been made to give a more realistic molecular potential for carbon tetrafluoride by using published X-ray diffraction data for α-CF4. It was found that an addition of anisotropic Lennard-Jones potentials between nonbonded atoms is preferable for molecular interactions in crystal. The values of the potential parameters are evaluated and give a reasonable interpretation of the temperature dependence of the lattice parameters.Keywords
This publication has 7 references indexed in Scilit:
- Carbon tetrafluoride—phase II: Far-infrared spectrum and crystal structureThe Journal of Chemical Physics, 1975
- Intermolecular Potential for Silicon TetrafluorideJournal of the Physics Society Japan, 1975
- The crystal structure of α-CF4Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1972
- Thermodynamic Properties of Carbon Tetrafluoride from 4°K to Its Melting PointBulletin of the Chemical Society of Japan, 1969
- Vibrational Spectra of Liquid and Crystalline CF4The Journal of Chemical Physics, 1968
- Intermolecular Potential Functions and the Second and Third Virial CoefficientsThe Journal of Chemical Physics, 1964
- Calorische Tieftemperaturmessungen an einigen Fluoriden (BF3, CF4 und SF6.)Zeitschrift für Physikalische Chemie, 1938