ELECTRONIC SPECTROSCOPY OF NICKEL MONOCARBIDE

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1998

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Ohio State University

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Laser vaporization of pure nickel metal in the throat of a supersonic expansion of He doped with about 3%CH4 has produced NiC in high yield. When the molecules were interrogated via resonant two-photon ionization spectroscopy between 19 000cm−1 and 27000cm−1 with ArF ex***imer radiation for photoionization, nearly 50 bands, some exceptionally intense, were observed. The densest portion of the spectrum is to the blue of 24500cm−1. All of the 31 bands that were rotationally resolved appear to be δ=0←0 transitions. The δ3σ1,3Δ+ ground state of FeCa and the δ4σ1,2Σ+ ground state of CoCb leads one to expect that the ground state of NiC will be δ4σ2,1Σ+. Our observation that all transitions originate from an Ω=0 state is consistent with the assignment of the ground state of NiC as 1Σ+. Five distinct excited electronic states have been tentatively identified based upon isotope shift data collected from the rotationally resolved bands and from some of the bands that could not be resolved. Three of the rotationally resolved bands were identified as the first two hot bands as well as the v=0−0 band of an Ω=0←0 system. Uncharacteristic of a jet-cooled R2PI experiment, this has allowed us to determine the ground state vibrational frequency to be ω=875.3cm−1 with ωexe=5.4cm−1. The rotational constant for the ground state has been determined to be 0.637396±0.000059cm−1, corresponding to a ground state bond length of 1.631095±0.000076 {\AA}.

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a W.J. Balfour, J. Cao, C.V.V. Prasad, C.X.W. Qinn, J. Chem. Phys. 103, 4046 (1995). b M. Barnes, A.J. Merer, G.F. Metha, J. Chem. Phys. 103, 8360 (1995).


Author Institution: National Institute of Standards and Technology, Optical Technology Division; University of Utah, Department of Chemistry

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