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


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.