Global bending quantum number and the absence of monodromy in the HCN{r_reversible}CNH molecule

Journal Article · Mon Mar 01 00:00:00 EST 2004 · Physical Review. A

DOI:https://doi.org/10.1103/PhysRevA.69.032504· OSTI ID:20640848

Efstathiou, K; Sadovskii, D A ^[1]; Joyeux, M ^[2]

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1. Universite du Littoral, UMR 8101 du CNRS, 59 140 Dunkerque (France)
2. Laboratoire de Spectrometrie Physique, Universite Joseph Fourier-Grenoble I, UMR 5588 du CNRS, Boite Postale 87, 38 402 St. Martin d'Heres (France)

We introduce and analyze a model system based on a deformation of a spherical pendulum that can be used to reproduce large amplitude bending vibrations of flexible triatomic molecules with two stable linear equilibria. On the basis of our model and the recent vibrational potential [ J. Chem. Phys. 115, 3706 (2001) ], we analyze the HCN/CNH isomerizing molecule. We find that HCN/CNH has no monodromy and introduce the second global bending quantum number for this system at all energies where the potential is expected to work. We also show that LiNC/LiCN is a qualitatively different system with monodromy.

• OSTI ID: 20640848
• Journal Information: Physical Review. A, Vol. 69, Issue 3; Other Information: DOI: 10.1103/PhysRevA.69.032504; (c) 2004 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 1050-2947
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
AMPLITUDES
BENDING
HYDROCYANIC ACID
LITHIUM COMPOUNDS
MOLECULES
POTENTIALS
SPHERICAL CONFIGURATION
VIBRATIONAL STATES