First spectroscopic investigation of the 4d transition metal monocarbide MoC
- Department of Chemistry, University of Utah, Salt Lake City, Utah 84112 (United States)
The first optical spectroscopic investigation of MoC has revealed a complicated vibronic spectrum consisting of about 35 bands between 17thinsp700 and 24thinsp000 cm{sup {minus}1}. Analysis has shown the ground state to be the {Omega}=0{sup +} spinorbit component of a {sup 3}{Sigma}{sup {minus}} state that derives from a 10{sigma}{sup 2}11{sigma}{sup 2}5{pi}{sup 4}2{delta}{sup 2} configuration. The Xthinsp{sup 3}{Sigma}{sub 0{sup +}}{sup {minus}} rotational constant for {sup 98}Mo{sup 12}C was determined to be B{sub 0}=0.553thinsp640{plus_minus}0.000thinsp055thinspcm{sup {minus}1}, giving r{sub 0}=1.687thinsp719{plus_minus}0.000thinsp084thinsp{Angstrom}. Consideration of spin-uncoupling effects in the Xthinsp{sup 3}{Sigma}{sup {minus}} state requires that this value be revised to r{sub 0}=1.6760thinsp{Angstrom}, which represents our best estimate of the true Mo{endash}C bond length. Spectroscopic constants were also extracted for six other major isotopic modifications of MoC in this mass resolved experiment. All rotationally resolved transitions were found to originate from the ground state and terminate in electronic states with {Omega}=1. An attempt is made to classify the observed transitions into band systems, to rationalize the complexity of the spectrum, and to understand the bonding from a molecular orbital point of view. {copyright} {ital 1998 American Institute of Physics.}
- OSTI ID:
- 663686
- Journal Information:
- Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 18 Vol. 109; ISSN JCPSA6; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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