Fundamental frequencies and molecular configuration of biphenyl—I. Re-analysis of its vibrational spectrum
Abstract
Even if the vibrational spectrum of biphenyl has been studied by several authors, the vibrational assignment is not yet definitely settled. In this work (Paper No. 1) we have attempted to collect all the possible experimental, theoretical and empirical evidence which may support the assignment of biphenyl- d0 and biphenyl- d10. Theoretical predictions from group theory and zero order normal coordinate calculations have been compared with the experimental data collected from a new set of experiments as well as from what is available in the literature. The problems related to the conformation of the molecule in the crystalline and solution phases are discussed. A new assignment is proposed. Uncertainties and weaknesses of our choice of the bands are discussed. In the next paper (No. 2) the normal mode and force contents are discussed in detail.
- Publication:
-
Spectrochimica Acta Part A: Molecular Spectroscopy
- Pub Date:
- May 1968
- DOI:
- 10.1016/0584-8539(68)80084-4
- Bibcode:
- 1968AcSpA..24..483Z