15min:
A STUDY OF NbMo AND NbMo- BY ANION PHOTOELECTRON SPECTROSCOPY.

PRAVEENKUMAR BOOPALACHANDRAN, SRIJAY S. RAJAN, MELISSA A. BAUDHUIN AND DOREEN G. LEOPOLD, Department of Chemistry, University of Minnesota, Minneapolis, MN 55455 .

We report the 488 and 514 nm anion photoelectron spectra of NbMo-. R2PI spectroscopic studies have established that neutral NbMo has a 2 Delta5/2 ground state and a short bond length . We find that the NbMo- anion has a 1 Sigma+ ground state in which the "extra" electron occupies the (4d) delta bonding orbital, giving a 1 sigma21 pi41 delta42 sigma2 valence electron configuration. Thus, NbMo- has a formal bond order of 6, and is isoelectronic with Mo2. Low-lying excited states of NbMo (2 Sigma+) and NbMo- (3 Delta) are also observed. The spectra provide the electron affinity of NbMo, energies of the 2 Sigma+ and 3 Delta excited states, vibrational frequencies in the anion and neutral molecule ground states and the 2 Sigma+ state, 2 Delta and 3 Delta spin-orbit splittings, and (from Franck-Condon analyses) bond length measurements for the anion ground state and the observed excited states. These results are compared with previous anion photoelectron spectroscopic data for the Group 5/6 congeners VCr and VMo, and with density functional theory predictions.