Laser vaporization generation of the SiB and SiAl radicals for matrix isolation electron spin resonance studies; comparison with theoretical calculations and assignment of their electronic ground states as X4 Σ

ACS Citation

Knight, L. B.; McKinley, A. J.; Babb, R. M.; Morse, M. D.; Arrington, C. A. Laser vaporization generation of the SiB and SiAl radicals for matrix isolation electron spin resonance studies; comparison with theoretical calculations and assignment of their electronic ground states as X4 Σ. J. Chem. Phys. 1993, 98, 6749-6749.

Abstract

The first experimental spectroscopic study of the SiB and SiAl diatomic radicals is reported. Electron spin resonance results indicate that both molecules have X-‰ 4Σ ground electronic states, in agreement with earlier theoretical calculations. The SiB and SiAl radicals were generated in neon matrices at 4 K by trapping the products produced from the pulsed laservaporization of their alloys. Electronic structure information for these radicals is especially interesting given the utilization of silicon doped materials in semiconductor applications. The observed nuclear hyperfineinteractions (A tensors) for 10B, 11B, and 27Al in these molecular radicals were compared with the results of ab initio configuration-interaction theoretical calculations which were conducted as part of this experimental study. The neon matrix magnetic parameters (MHz) for Si-‰11B are D=800(2), g ∥=2.0014(8), g ⊥=2.0005(4), A ⊥=92.4(5), and A ∥=111(2). For Si-‰27Al the results (MHz) are D=9710(2), g ∥=1.9994(8), and g ⊥=1.9978(4), --A ⊥--=10.3(6), and --A ∥--=43.5(8).

Source Name

Journal of Chemical Physics

Publication Date

1-1-1993

Volume

98

Issue

9

Page(s)

168-174

Document Type

Citation

Citation Type

Article

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