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|Title:||Ultraviolet laser spectroscopy of jet-cooled CaNC and SrNC free radicals: Observation of bent excited electronic states|
|Authors:||Greetham, Gregory M.|
Ellis, Andrew M.
|Publisher:||American Institute of Physics|
|Citation:||Journal of Chemical Physics, 2000, 113 (20), pp. 8945-8952|
|Abstract:||New electronic transitions of the CaNC and SrNC free radicals have been identified in the near ultraviolet. For CaNC one new system, labeled the D̃–X̃ transition, was observed in the 31 500–33 400 cm[superscript: −1] region. Two new transitions were found for SrNC, the D̃–X̃ and Ẽ–X̃ systems spanning 29 100–31 000 and 32 750–34 000 cm[superscript: −1], respectively. Jet-cooled laser excitation spectra yield complex vibrational structure, much of which is attributed to excitation of the bending vibration. This has been used to infer that the molecule adopts a nonlinear equilibrium geometry in the upper electronic state in all three band systems, in contrast to the linear ground electronic state. This structural change is accounted for by the increased diffuseness of the unpaired electron in the excited states, which favors deviation from linearity. All three new excited states are assigned [superscript: 2]A′ symmetry and correlate with [superscript: 2]Σ+ states in the linear molecule limit. Tentative estimates for the barriers to linearity in the D̃[superscript: 2]A′ states of CaNC and SrNC have been determined as ∼700 and ∼1050 cm[superscript: −1], respectively.|
|Rights:||Copyright © 2000 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in J. Chem. Phys. 113, 8945 (2000); and may be found at http://dx.doi.org/10.1063/1.1319344|
|Appears in Collections:||Published Articles, Dept. of Chemistry|
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