A morphed ground state potential for Ne:HI based on microwave spectroscopy Academic Article uri icon

abstract

  • 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.

published proceedings

  • Chemical Physics Letters

author list (cited authors)

  • Lin, P., Jabs, W., Lucchese, R. R., Bevan, J. W., Brugh, D. J., & Suenram, R. D.

citation count

  • 17

complete list of authors

  • Lin, Ping||Jabs, W||Lucchese, RR||Bevan, JW||Brugh, DJ||Suenram, RD

publication date

  • April 2002