SYNCHROTRON-BASED HIGH RESOLUTION FAR INFRARED SPECTROSCOPY OF BENZALDEHYDE

Chen, Ziqiu

Permalink

https://hdl.handle.net/2142/107433 Copy

Description

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

Issue Date

23-Jun-20

Keyword(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.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

Text

Language

English

Permalink

http://hdl.handle.net/2142/107433

Owning Collections