dc.creator Baudhuin, Melissa A. en_US dc.creator Boopalachandran, Praveenkumar en_US dc.creator Rajan, Srijay S. en_US dc.creator Leopold, Doreen G. en_US dc.date.accessioned 2013-07-16T21:46:32Z dc.date.available 2013-07-16T21:46:32Z dc.date.issued 2013 en_US dc.identifier 2013-WK-16 en_US dc.identifier.uri http://hdl.handle.net/1811/55566 dc.description Author Institution: Department of Chemistry, University of Minnesota, Minneapolis, MN 55455 en_US dc.description.abstract We report the 488 nm photoelectron spectrum of the NbCr$^{-}$ anion. For the $^{2}\Delta$ ground state of neutral NbCr, the short bond length (1.894 \AA) and high bond energy (D$_0$ 3.0263(6) eV) measured by R2PI spectroscopy indicate high order multiple bonding. We find that the NbCr$^{-}$ anion has a $^{1}\Sigma^{+}$ ground state, in which the "extra" electron occupies the (4d)$\delta$ bonding orbital, giving a $1\sigma^{2}1\pi^{4}1\delta^{4}2\sigma^{2}$ valence electron configuration and a formal bond order of 6. Low-lying excited states of NbCr (assigned as two $^{2}\Sigma^{+}$ states) and NbCr$^{-}$ ($^{3}\Delta$) are also observed. The spectra provide the electron affinity of NbCr, energies of the $^{2}\Sigma^{+}$ and the $^{3}\Delta$ excited states, vibrational frequencies for the NbCr and NbCr$^{-}$ ground states and for the $^{2}\Sigma^{+}$ excited states, and (from Franck-Condon analyses) differences among the bond lengths of the observed states. These results are compared with our previous data for the Group 5/6 congeners NbMo, VCr, and VMo, and with DFT predictions. We also report results for ongoing experiments on the flow tube reactions of the Group V metals Nb and Ta with butadiene, and the vibrationally-resolved photoelectron spectra of some of the organometallic reaction product anions. en_US dc.language.iso en en_US dc.publisher Ohio State University en_US dc.title A STUDY OF NbCr AND NbCr$^{-}$ BY ANION PHOTOELECTRON SPECTROSCOPY en_US dc.type Article en_US
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