dc.creator Moule, D. C. en_US dc.creator Chantranupong, L. en_US dc.creator Clouthier, Dennis J. en_US dc.creator Karolczak, Jerzy en_US dc.creator Judge, R. H. en_US dc.creator Smeyers, Y. G. en_US dc.date.accessioned 2006-06-15T15:17:24Z dc.date.available 2006-06-15T15:17:24Z dc.date.issued 1992 en_US dc.identifier 1992-WF-13 en_US dc.identifier.uri http://hdl.handle.net/1811/12948 dc.description Author Institution: Department of chemistry, Brock University; Department of Chemistry, University of Kentucky; Department of Chemistry, University of Wisconsin - Parkside; Department of Chemistry, Instituto de Estructura de la material (CSIC) c/Serrano en_US dc.description.abstract A fluorescence excitation spectrum of formic acid monomer HCOOH, has been recorded in the 278 - 246 nm region and has been attributed to n $\rightarrow$ $\pi^{*}$ electron promotion in the anti conformer. Four vibrational modes $v_{3}$ (C=O), $V_{7}$ (O-C=O), $v_{8}$(C-$H_{eld}$.) and $v_{9}$(O-$H_{hyd}$.) were observed in the spectrum. The activity of the antisymmetric aldehyde wagging and hydroxyl torsional modes in forming progressions leads to the conclusion that the two hydrogens are Distorted from the plane in the upper $S_{1}$ state. Ab initio molecular calculations show that the OH and CH bonds are twisted with respect to the O-C=O plane by 63.7 and 45.8 degrees. The calculations predict a second (syn) rotamer which is $338 cm^{-1}$ above the equilibrium position. en_US dc.format.extent 126099 bytes dc.format.mimetype image/jpeg dc.language.iso English en_US dc.publisher Ohio State University en_US dc.title THE TORSIONAL - WAGGING BAND STRUCTURE IN THE n $\rightarrow$ $\pi^{*}$, $S_{0}$ $\rightarrow$ $S_{1}$ ELECTRONIC SPECTRUM OF FORMIC ACID en_US dc.type article en_US
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