The molecular structure of biphenyl in the gas and solid phases
- 1 January 1968
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 15 (4) , 339-348
- https://doi.org/10.1080/00268976800101191
Abstract
‘Molecular mechanics’ has been used to calculate the geometry of biphenyl in the gas and crystalline phases. The geometry of the isolated molecule is mainly determined by a balance of π-electron and non-bonded energies, while in the crystal the most important forces are the intermolecular C … H attractions. Reasonable agreement is obtained with electron diffraction, x-ray and thermal data.Keywords
This publication has 23 references indexed in Scilit:
- Calculated energies and geometries along the reaction path in Cope rearrangementsJournal of the American Chemical Society, 1968
- Conformational analysis. LX. Improved calculations of the structures and energies of hydrocarbons by the Westheimer methodJournal of the American Chemical Society, 1968
- Conformational changes involved in the singlet-triplet transitions of biphenylJournal of the American Chemical Society, 1967
- Potential functions and conformations in cycloalkanesTetrahedron, 1967
- Molecular packing in crystals of the aromatic hydrocarbonsProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1965
- A Scheme for Strain Energy Minimization. Application to the Cycloalkanes1Journal of the American Chemical Society, 1965
- The crystal and molecular structure of biphenylActa Crystallographica, 1961
- Molecular Geometry. I. Machine Computation of the Common RingsJournal of the American Chemical Society, 1961
- Relations between Electronic Absorption Spectra and Spatial Configurations of Conjugated Systems. I. BiphenylBulletin of the Chemical Society of Japan, 1959
- The Molecular Structure of Biphenyl and some of its Derivatives.Acta Chemica Scandinavica, 1949