A morphed ground state potential for Ne:HI based on microwave spectroscopy
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The structure and ground state dynamics of the interaction Ne:HI have been investigated. The potential surface from ab initio molecular orbital calculation was morphed to yield a fit to experimental data. This intermolecular potential results in a ground state 20Ne:HI with Rcm = 4.1018(1) , and = 0.12527(1), a nearly free rotor state. For 20Ne:DI, Rcm was 3.9616 (1) with a value of = 0.41110(1) corresponding to an angle = 141.20(1) in the isomeric structure, Ne-ID. Ground state characteristics are compared with those determined for Ar:HI and Kr:HI, and predicted for Ne:HI. 2002 Published by Elsevier Science B.V.
author list (cited authors)
Lin, P., Jabs, W., Lucchese, R. R., Bevan, J. W., Brugh, D. J., & Suenram, R. D.
complete list of authors
Lin, Ping||Jabs, W||Lucchese, RR||Bevan, JW||Brugh, DJ||Suenram, RD