engleski

Vibrational analysis of the benzophenone molecule and influence of its conformation on vibrational transitions

IR and Raman spectra of benzophenone and several of its isotopomers are the experimental basis for the normal coordinate analysis. The possibility of determining the conformation of the benzophenone molecule in solution from its vibrational spectrum is considered carefully. The dihedral angle between the central part of the molecule and the phenyl ring has been determined by fitting the calculated to the observed spectra. The final force field for the molecule wae obtained for the dihedral angle of 35 degrees.

vibrations ; normal coordinates ; valence force field ; isotopomers

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