Proton transfer in (HCOOH)2: an IR high-resolution spectroscopic study of the antisymmetric C-O stretch.
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.
Ortlieb
Markus
M
Department of Physical Chemistry II, Ruhr-University Bochum, Universitätsstrasse 150, D-44780 Bochum, Germany.
Havenith
Martina
M
D002244:Carbon / Q000737:chemistry*; D002264:Carboxylic Acids / Q000737:chemistry*; D019281:Dimerization; D005561:Formates / Q000737:chemistry; D005740:Gases / Q000737:chemistry*; D007259:Infrared Rays; D010100:Oxygen / Q000737:chemistry*; D011522:Protons; D013057:Spectrum Analysis; D014732:Vibration
D002264:Carboxylic Acids; D005561:Formates; D005740:Gases; D011522:Protons; C030544:formic acid; D002244:Carbon; D010100:Oxygen