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

被引:87
|
作者
Ortlieb, Markus [1 ]
Havenith, Martina [1 ]
机构
[1] Ruhr Univ Bochum, Dept Phys Chem 2, D-44780 Bochum, Germany
来源
JOURNAL OF PHYSICAL CHEMISTRY A | 2007年 / 111卷 / 31期
关键词
D O I
10.1021/jp070763+
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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.
引用
收藏
页码:7355 / 7363
页数:9
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