Vibrationally resolved photoelectron spectroscopy of the first row transition metal and C{sub 3} clusters: MC{sub 3}{sup -} (M=Sc, V, Cr, Mn, Fe, Co, and Ni)
- Department of Physics, Washington State University, 2710 University Drive, Richland, Washington 99352 (United States)
We report photoelectron spectra of the MC{sub 3}{sup -} clusters for M=Sc, V, Cr, Mn, Fe, Co, and Ni at two photon energies, 355 and 266 nm. Vibrational structure is resolved for the ground and excited state detachment transitions for all the clusters except for CoC{sub 3}{sup -} and NiC{sub 3}{sup -}. Electron affinity (EA) and vibrational frequencies for the MC{sub 3} clusters are obtained. Complicated low-lying excited state features are observed for all the species. We find that the trend of the EA across the 3d series for the MC{sub 3} clusters is similar to that of the MC{sub 2} species. The vibrational frequency is found to increase from ScC{sub 3} to TiC{sub 3} and then decreases monotonically to the right of the 3d series. Preliminary density functional theory calculations are performed on all the MC{sub 3} and MC{sub 3}{sup -} clusters at several initial geometries and spin multiplicities. We find that the ground states of all the MC{sub 3} and MC{sub 3}{sup -} species have C{sub 2v} ring structures. The calculated M-C stretching frequency for all the MC{sub 3} species is in good agreement with the experimental measurement, lending credence to the obtained C{sub 2v} structure. (c) 2000 American Institute of Physics.
- OSTI ID:
- 20215431
- Journal Information:
- Journal of Chemical Physics, Vol. 112, Issue 8; Other Information: PBD: 22 Feb 2000; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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