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
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