화학공학소재연구정보센터
Journal of Chemical Physics, Vol.119, No.6, 3092-3097, 2003
The vibrational spectrum of cyclic ozone
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 on the basis of high-level electronic structure calculations [J. Chem. Phys. 116, 9749 (2002)]. The spectrum is qualitatively similar to that of H-3(+), except that the energy spacing between the states belonging to the same polyad [v(1),v(2)] is much smaller; nu(1) is the breathing mode and nu(2) is the doubly degenerate bending mode.(C) 2003 American Institute of Physics.