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

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.

authors

• Lucchese, Robert

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, P||Jabs, W||Lucchese, RR||Bevan, JW||Brugh, DJ||Suenram, RD

publication date

• April 2002

publisher

• Elsevier  Publisher

published in

• CHEMICAL PHYSICS LETTERS  Journal

keywords

• 34 Chemical Sciences
• 3406 Physical Chemistry
• 51 Physical Sciences
• 5102 Atomic, Molecular And Optical Physics

Digital Object Identifier (DOI)

• 10.1016/S0009-2614(02)00374-3

start page

• 101

end page

• 108

volume

• 356

issue

• 1-2

URL

• http://dx.doi.org/10.1016/s0009-2614(02)00374-3