The proposed electronic assignments of our previously reported near infrared transitions of ZrCl [J. Mol. Spectrosc. 186, 335 (1997); 196, 235 (1999)] have been revised following the suggestion of Sakai, Mogi, and Miyoshi [J. Chem. Phys. 111, 3989 (1999)]. The ground state is now assigned as the X (2)Delta state followed by the a (4)Phi state being the lowest in the quartet manifold. The previously reported transitions [7.3](2)Delta -a (2)Phi, [9.4](2)Phi -a (2)Phi, and C (4)Delta -X (4)Phi are now reassigned to C (2)Phi -X (2)Delta, E (2)Phi -X (2)Delta, and d (4)Delta -a (4)Phi, respectively. The new assignments are supported by our own ab initio calculations. Laser excitation spectra of the 414 nm band system have also been observed at low resolution and are attributed to a (4)Gamma -a (4)Phi transition. (C) 2001 American Institute of Physics.
|Number of pages||11|
|Journal||Journal of Chemical Physics|
|Publication status||Published - 1 Mar 2001|
- TRANSFORM EMISSION-SPECTROSCOPY
- ADJUSTED ABINITIO PSEUDOPOTENTIALS