Title of article :
Rotamers and vibrations of resorcinol obtained by spectral hole burning
Author/Authors :
Gerhards، نويسنده , , M. and Perl، نويسنده , , W. and Kleinermanns، نويسنده , , K.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1995
Abstract :
(1 + 1)REMPI and hole-burning spectra of resorcinol are recorded. Under the conditions of free-jet expansion only two rotamers significantly contribute to the spectrum. The bands of the REMPI spectrum can be assigned as electronic origins and vibrational transitions of the two rotamers. In order to determine the stabilities of the rotamers ab initio Hartree-Fock calculations using the 6–31G(d, p) and 6–311 + + G(d, p) basis sets are carried out. The data of a complete vibrational analysis at the 6–31G(d, p) level are compared with experimental infrared and Raman frequencies. The REMPI signals are assigned using the normal vibrations calculated for the electronic ground state.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters