The Huggins band of ozone: Unambiguous electronic and vibrational assignment

The Huggins band of ozone is investigated by means of exact dynamics calculations using a new (diabatic) potential energy surface for the B-1(2) state. The remarkable agreement with the measured spectrum strongly suggests that the Huggins band is due to the two C-s potential wells of the B-1(2) state. The vibrational assignment, based on the nodal structure of wave functions, supports the most recent experimental assignment. (C) 2004 American Institute of Physics.