GROUND ELECTRONIC STATES OF Ni-(2,2'-BIPYRIDINE) AND ITS MONOCATION
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Date
2005
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Ohio State University
Abstract
Ni-(2,2'-bipyridine) was produced in a supersonic jet. The electronic spectrum of the complex was measured by using single-photon pulsed field ionization zero electron kinetic energy electron spectroscopy (PFI-ZEKE). The spectrum shows the band origin at 37919(15) cm$^{-1}$ and vibrational intervals of 267, 1035, and 1175 cm$^{-1}$. With the aid of the B3LYP density functional and Franck-Condon factor calculations, the spectrum is attributed to the vibronic transitions from the $^3$A$_2$ ground state of the neutral complex to the $^2$B$_2$ ground state of the corresponding ion. The 267 cm$^{-1}$ progression is assigned to the Ni-bipyridine symmetric stretch in the cation, whereas the 1035 and 1175 cm$^{-1}$ intervals arise from ligand-based vibrations.
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Author Institution: Department of Chemistry, University of Kentucky, Lexington, KY, 40605-0055