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Proton transfer in (HCOOH)2: an IR high-resolution spectroscopic study of the antisymmetric C-O stretch.

Authors :
Ortlieb M
Havenith M
Source :
The journal of physical chemistry. A [J Phys Chem A] 2007 Aug 09; Vol. 111 (31), pp. 7355-63. Date of Electronic Publication: 2007 Jun 07.
Publication Year :
2007

Abstract

We report the fully analyzed high-resolution spectrum of the carboxylic acid dimer (HCOOH)2 in the gas phase. High-resolution IR spectra in the region of the antisymmetric C-O stretch vibration have been recorded at 1221.0-1226.7 cm(-1). The data could be fit within experimental uncertainty to a rigid rotor Watson S-reduced Hamiltonian. The vibrational frequency of the C-O vibration is 1225.3430(3) cm(-1). On the basis of the measurement of a tunneling splitting of 0.0158(4)cm(-1) for the lower state and 0.0100(3) cm(-1) for the upper state, we determine a proton-transfer time of 1.0 and 1.7 ns for the ground and the vibrationally excited state, respectively.

Details

Language :
English
ISSN :
1089-5639
Volume :
111
Issue :
31
Database :
MEDLINE
Journal :
The journal of physical chemistry. A
Publication Type :
Academic Journal
Accession number :
17552500
Full Text :
https://doi.org/10.1021/jp070763+