Electronic states of the manganese dimer ion probed by photodissociation spectroscopy

The optical spectrum of the manganese dimer ion, Mn-2(+), was obtained by m easurement of the photodissociation action spectrum in the photon-energy ra nge from 1.9 through 5.6 eV. The spectrum was analyzed by calculating its e lectronic and geometric structures using density functional theory includin g nonlocal corrections. The simulation was in reasonable agreement with the experimental result, allowing the assignment of the electronic states invo lved in the optical transitions. The ground state was shown to be a (12)Sig ma (+)(g) state. The excited electronic states corresponding to the transit ions around 2.9, 4.0, and 5.3 eV were assigned to (12)Sigma (+)(u), (12)Sig ma (+)(u) together with (12)Pi (u), and (12)Pi (u), respectively. The high- spin character indicates a ferromagnetic coupling of all the 3d electrons. (C) 2001 American Institute of Physics.