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 (1)B(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 (1)B(2) state. The vibrational assignment, based on the nodal structure of wave functions, supports the most recent experimental assignment.
Qu
Zheng-Wang
ZW
Max-Planck-Institut für Strömungsforschung, D-37073 Göttingen, Germany.
Zhu
Hui
H
Tashiro
Motomichi
M
Schinke
Reinhard
R
Farantos
Stavros C
SC