Title of article :
Raman spectra of metastable phase of benzophenone
Author/Authors :
Babkov، نويسنده , , L. and Baran، نويسنده , , J. and Davydova، نويسنده , , N.A. and Melʹnik، نويسنده , , V.I. and Uspenskiy، نويسنده , , K.E.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2006
Abstract :
The Raman spectrum (7–3400 cm−1) measured for a metastable β-phase of benzophenone is reported for the first time. The Raman spectra measured during the structural phase transition between the metastable β-phase and the stable α-phase (in the temperature region 243–293 K) are reported as well. For comparison, the Raman spectrum of the stable α-phase is presented. The structure of the benzophenone isolated molecule and its Raman spectrum calculated by the density functional method (B3LYP/6-31+G(d)) using gaussian 03 software are discussed in relation to the measured Raman spectra of the α- and β-phases.
Keywords :
Polymorphism , benzophenone , B3LYP calculations , Raman spectra , phase transition
Journal title :
Journal of Molecular Structure
Journal title :
Journal of Molecular Structure