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QUARTIC FORCE-FIELDS OF RENNER-TELLER SYSTEMS (X2-PI) WITH 15 VALENCE-ELECTRONS

Abstract : For the 15 valence electron molecules BO2, CO2, CS2+, N3, NCO, and N2O+ the quartic force fields for both Renner-Teller components of the (X2PI) ground states are given. These potential expansions yield vibronic energies which agree to within 20 cm-1 with available experimental data. A set of effective molecular parameters has been derived and a comparison of the force fields for the different systems has been made.
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https://hal-upec-upem.archives-ouvertes.fr/hal-00693559
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Submitted on : Wednesday, May 2, 2012 - 6:13:37 PM
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  • HAL Id : hal-00693559, version 1

Citation

H Gritli, Gilberte Chambaud, M Brommer, P Rosmus. QUARTIC FORCE-FIELDS OF RENNER-TELLER SYSTEMS (X2-PI) WITH 15 VALENCE-ELECTRONS. Journal de Chimie Physique et de Physico-Chimie Biologique, EDP Sciences, 1994, 91 (2), pp.151--161. ⟨hal-00693559⟩

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