The vibrational spectrum of cyclic ozone

Abstract

We discuss the vibrational spectrum of rotationless cyclic ozone, i.e., ozone in the so-called ring minimum of the ground electronic state. The bound state calculations utilize the ab initio potential energy surface constructed by Siebert et al. on the basis of high-level electronic structure calculations [J. Chem. Phys. 116, 9749 (2002)]. The spectrum is qualitatively similar to that of H3+, except that the energy spacing between the states belonging to the same polyad [v1,v2] is much smaller; ν1 is the breathing mode and ν2 is the doubly degenerate bending mode.