✍ Scribed by R.E. Bumgarner; Sakae Suzuki; Paul A. Stockman; Peter G. Green; Geoffrey A. Blake
No coin nor oath required. For personal study only.
I rotation-tunneling bands of 0'%-H20 and O'*C-D*O have been measured in the region between 400 and 600 GHz. Two bands for each isotopomer were observed corresponding to AK,= I, &type rotational transltions in the A and B water tunneling states. Each band was fit independently using a Watson A-reduced Hamiltonian yielding all three rotational and several distortion constants per band. The effective A-rotational constants, A*, contain a contribution due to water tunneling. Assuming the tunneling splittings are the same in I$=0 and K,= 1, A*(A state) -A*(B state) =2u,, where v, is the tunneling splitting. We obtain tunneling splittings of 16.684 GHz for 0 "C-H20 and I .O 12 GHz for 0 '*C-DzO. These measurements are in good agreement with the predictions of Yaron et al. (J. Chem. Phys. 92 ( 1990) 7095). Effective one-dimensional potentials have been employed to place constraints on the hydrogen bond geometry, to model the measured tunneling splittings, and to predict higher frequency vibration-rotation-tunneling transitions.
Hydrogen ' Packard Fellow, Sloan Fellow and Presidential Young Investigator.
📜 SIMILAR VOLUMES
ab initio calculations • protons • theoretical chemistry • vibrational spectroscopy • water [\*] Prof. Dr. G. Niedner-