ANALYSIS OF THE POLARIZED RAMAN-SPECTRA OF 9-METHYLFLUOREN-9-OL CRYSTALK - VIBRATIONAL ASSIGNMENTS

The polarized Raman spectra of 9-methylfluoren-9-ol (MFOL) in crystal and in solution are measured and the frequencies and modes are reporte d along with the analysis procedure. A procedure of assigning the vibr ational modes to the polarized Raman bands of a triclinic crystal of M FOL is presented, The assignments have been confirmed by measuring the depolarization ratios from the solution Raman scattering and the infr ared spectra, and by the comparison with the Raman bands of fluorene. The frequencies and the intensities of Raman and IR bands are also com pared to the fundamentals obtained with conventional ab initio Hartree -Fock and B3LYP density functional theory calculations using a 6-31G basis set. (C) 1998 Elsevier Science B.V.