A new interpretation of the bonding and spectroscopy of the tetraoxoferrate(VI) FeO 4 2− ionThe proposed electronic assignments of our previously reported near infrared transitions of ZrCl ͓J. Mol. Spectrosc. 186, 335 ͑1997͒; 196, 235 ͑1999͔͒ have been revised following the suggestion of Sakai, Mogi, and Miyoshi ͓J. Chem. Phys. 111, 3989 ͑1999͔͒. The ground state is now assigned as the X 2 ⌬ state followed by the a 4 ⌽ state being the lowest in the quartet manifold. The previously reported transitions ͓7.3͔ 2 ⌬ -a 2 ⌽, ͓9.4͔ 2 ⌽ -a 2 ⌽, and C 4 ⌬ -X 4 ⌽ are now reassigned to C 2 ⌽ -X 2 ⌬, E 2 ⌽ -X 2 ⌬, and d 4 ⌬ -a 4 ⌽, 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 ⌫ -a 4 ⌽ transition.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.