Vibrational spectra of biphenylene. In-plane normal modes of biphenylene, [2,3,6,7-2H4]biphenylene and [2H8]biphenylene
- 1 January 1973
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics
- Vol. 69, 818-830
- https://doi.org/10.1039/f29736900818
Abstract
The Raman spectra of powders and solutions of biphenylene, [2,3,6,7-2H4]biphenylene, and [2H8]biphenylene are presented. The frequencies assigned to the ag modes, together with those attributed in a previous paper to the b1u and b2u modes, are used as a reliable experimental basis to develop a normal coordinate analysis of the in-plane vibrations. A 28 parameter Valence Force Field, derived from the one which works successfully in the similar case of aromatic hydrocarbons, gives a satisfactory description of the vibrational modes, reproduces the observed frequencies with an average error of less than 10 cm–1, and supports the proposed assignment of the b3g modes. Raman active out-of-plane modes and lattice vibrations are discussed, and the assignment of the librational modes is proposed through Cruickshank's equation, relating the frequencies of these motions to their mean square amplitude.Keywords
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