Terahertz vibration – rotation - tunneling ( VRT ) spectroscopy of the d 6 - water trimer : Complete characterization of the 2 . 94 THz torsional band ( kn = ± 21 00 )
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چکیده
We report the measurement and analysis of the complete perpendicular k = ±2 0 (D2O)3 torsional band (origin 2940.9376(3) GHz), the upper state of which is the highest-energy (98.09912 cm ) torsional state yet observed. All known torsional transitions were included in a new global analysis of the six observed torsional bands, using the effective Hamiltonians derived by van der Avoird et al. [M. R. Viant, M. G. Brown, J. D. Cruzan, R. J. Saykally, M. Geleijns, A. van der Avoird, J. Chem. Phys. 110 (1999) 4369; A. van der Avoird, E. H. T. Olthof, P. E. S. Wormer, J. Chem. Phys. 105 (1996) 8034]. The experimental results will facilitate the descriptions of three-body interactions in water intermolecular potential energy surfaces (IPSs). 2006 Elsevier B.V. All rights reserved.
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Quantitative characterization of the „D2O...3 torsional manifold by terahertz laser spectroscopy and theoretical analysis
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