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Phys. Rev. A 69, 032504 (2004) [15 pages]

Global bending quantum number and the absence of monodromy in the HCN↔CNH molecule

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K. Efstathiou1, M. Joyeux2, and D. A. Sadovskií1,*
1Université du Littoral, UMR 8101 du CNRS, 59 140 Dunkerque, France
2Laboratoire de Spectrométrie Physique, Université Joseph Fourier–Grenoble I, UMR 5588 du CNRS, Boîte Postale 87,38 402 St. Martin d’Hères, France

Received 18 July 2003; published 23 March 2004

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.

© 2004 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevA.69.032504
DOI:
10.1103/PhysRevA.69.032504
PACS:
33.20.Vq, 45.50.−j, 03.65.Sq, 33.15.Mt

*Electronic address: sadovski@univ-littoral.fr