Potential energy surfaces for the interaction of CH( X 2Π, B 2Σ−) with Ar and an assignment of the stretch-bend levels of the ArCH( B ) van der Waals molecule
New multireference, configuration-interaction potential energy surfaces are reported for the interaction of Ar with the CH radical in its ground (X 2Π) and second excited (B 2Σ−) electronic states. These potential energy surfaces are then used in an adiabatic analysis of the rovibronic levels of the...
Gespeichert in:
Veröffentlicht in: | The Journal of chemical physics 1994-09, Vol.101 (6), p.4547-4560 |
---|---|
Hauptverfasser: | , , , , , |
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
Zusammenfassung: | New multireference, configuration-interaction potential energy surfaces are reported for the interaction of Ar with the CH radical in its ground (X 2Π) and second excited (B 2Σ−) electronic states. These potential energy surfaces are then used in an adiabatic analysis of the rovibronic levels of the ArCH(X) and ArCH(B) van der Waals complexes. A qualitative discussion of the expected features in the B̃←X̃ electronic spectrum of ArCH is presented, and these are compared with the experimental spectrum reported earlier by Lemire et al. [J. Chem. Phys. 99, 91 (1993)]. |
---|---|
ISSN: | 0021-9606 1089-7690 |
DOI: | 10.1063/1.467442 |