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Title:SYNCHROTRON-BASED HIGH RESOLUTION FAR INFRARED SPECTROSCOPY OF BENZALDEHYDE
Author(s):Chen, Ziqiu
Contributor(s):Zhao, Jianbao ; Billinghurst, Brant E.; Fábri, Csaba ; Zhou, Haihua ; Zhang, Yichi ; Ma, Jiarui ; Liu, Zengkui ; Liang, Yue
Subject(s):Mini-symposium: Large Amplitude Motions
Abstract:The rotationally-resolved vibrational spectra of benzaldehyde have been recorded in the far infrared region at room temperature using the Bruker IFS125 Fourier Transform spectrometer at the Canadian Light Source with a resolution of 0.000959 \wn. The lowest frequency vibrational bands collected correspond to the fundamental and hotbands of the -CHO torsion at 110 \wn. The assignment and analysis of the dense spectral features in this region will be detailed. In addition, the newly obtained band origin of the -CHO torsional fundamental will be compared to \emph{ab initio} results in relation to the discrepancy$\footnote{L.D. Speakman, B.N. Papas, H. Lee Woodcock, H.F. Schaefer III, \emph{J. Chem. Phys}, \textbf{2004}, 120, 4247-4250; I.A. Godunov, V.A. Bataev, A. V. Abramenkov, V.I. Pupyshev, \emph{J. Phys. Chem.A}, \textbf{2014}, 118, 10159-10165, and references therein}$ between theoretical and experimental values of the potential barrier to internal rotation in this molecule.
Issue Date:23-Jun-20
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:APS
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/107433
Date Available in IDEALS:2020-06-26


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