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Matrix isolation electron spin resonance studies of sup 28,28 Si sub 2 sup + , sup 28,29 Si sub 2 sup + , sup 29,29 Si sub 2 sup + , Ge sub 2 sup + , and sup 73 Ge sub 2 sup + produced by pulsed laser vaporization. Comparison with theoretical calculations

Journal Article · · Journal of Physical Chemistry; (United States)
DOI:https://doi.org/10.1021/j100160a022· OSTI ID:5524683

The Si{sub 2}{sup +} and Ge{sub 2}{sup +} cation radicals were generated by pulsed laser vaporization and isolated in rare-gas matrices at 4 K for electron spin resonance (ESR) investigations. The electronic ground states were established as X{sup 4}{Sigma} for both cations with the three unpaired electrons occupying predominantly valence p-type orbitals. In the case of {sup 29}Si{sub 2}{sup +}, the observed nuclear hyperfine interaction (A tensor) was compared with that computed in an ab initio configuration interaction type calculation. The dependence of the hyperfine parameters on internuclear distance was also investigated. For comparison purposes, all diatomic and triatomic cations studied in the gas phase and in rare-gas matrices at sufficiently high resolution to observe nuclear hyperfine interaction are listed. For {sup 29}Si{sub 2}{sup +} in neon, g{sub {perpendicular}} = 1.993 (1), {vert bar}A{sub {perpendicular}}{vert bar} = 52.4 (5) MHz, and D = 27.6 (8) GHz; for {sup 73}Ge{sub 2}{sup +}, g{sub {perpendicular}} = 1.939 (1) and {vert bar}A{sub {perpendicular}}{vert bar} = 10 (3) MHz.

OSTI ID:
5524683
Journal Information:
Journal of Physical Chemistry; (United States), Journal Name: Journal of Physical Chemistry; (United States) Vol. 95:7; ISSN 0022-3654; ISSN JPCHA
Country of Publication:
United States
Language:
English

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