dc.creator Rodrigo, Chirantha P. en_US dc.creator Müller, Christian en_US dc.creator Zwier, Timothy S. en_US dc.date.accessioned 2008-01-12T13:37:40Z dc.date.available 2008-01-12T13:37:40Z dc.date.issued 2007 en_US dc.identifier 2007-RA-09 en_US dc.identifier.uri http://hdl.handle.net/1811/31212 dc.description Author Institution: Department of Chemistry, Purdue University, West Lafayette, IN 47907-2084 en_US dc.description.abstract The ultraviolet and infrared spectroscopy of jet-cooled 2-benzylphenol (2bp) was studied using fluorescence excitation (FE), single vibronic level fluorescence (SVLF), UV-UV holeburning (UVHB), and fluorescence-dip infrared (FDIR) methods. The presence of an OH group in the 2-position on one ring asymmetrizes this bichromophore, localizing the electronic excitation in the $\mathrm{S}_1$ state to the OH-substituted ring. Nevertheless, the two rings, which are separated only by a methylene group, interact strongly with one another. UVHB spectroscopy proves that there is only one conformation of 2bp. The monomer 2bp $\mathrm{S}_0$--$\mathrm{S}_1$ origin is at 36142\,\wn, with long progressions and combination bands involving low-frequency phenyl ring torsions of frequency 29 and 41\,\wn. FDIR spectroscopy was used to determine the frequency of the OH stretch fundamental in both $\mathrm{S}_0$ (3585\,\wn) and $\mathrm{S}_1$ states (3452\,\wn). These wavenumber positions indicate the formation of an OH\cdots$\pi$ H-bond in which the OH group on one ring binds to the $\pi$ cloud of the other ring. The strength of this H--bond is increased by electronic excitation of the OH-containing phenyl ring. SVLF spectra of the origin band and several members of the torsional progressions have been recorded. Evidence will be presented for strong Duschinsky mixing involving these torsional modes, serving as the starting point for the analysis outlined in part II. en_US dc.language.iso English en_US dc.publisher Ohio State University en_US dc.title INFRARED AND ULTRAVIOLET SPECTROSCOPY OF JET-COOLED 2-BENZYLPHENOL: I. STRUCTURE AND LARGE-AMPLITUDE TORSIONAL MOTION en_US dc.type article en_US
﻿

### Files in this item

Items in Knowledge Bank are protected by copyright, with all rights reserved, unless otherwise indicated.