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First structural characterization of a boron-centered radical: x-ray crystal structure of (Li(12-crown-4)/sub 2/)/sup +/(BMes/sub 3/)/sup -/. [BMes/sub 3/ = B-2,4,6-Me/sub 3/C/sub 6/H/sub 2/]

Journal Article · · J. Am. Chem. Soc.; (United States)
DOI:https://doi.org/10.1021/ja00274a071· OSTI ID:5658850
In this paper the authors present the first structural determination of a free (BAr/sub 3/)/sup -/ radical anion which was crystallized as the crown ether salt (Li(12-crown-4)/sub 2/)/sup +/(BMes/sub 3/)/sup -/. The crystal structure was determined to establish the existence of (BMes/sub 3/)/sup -/ as a free noninteraction radical anion. Although the structure of the precursor, BMes/sub 3/, was already known and not in doubt the authors redetermined its structure at 130 K to enable an isothermal comparison with the crown ether salt. The data obtained show that the addition of one electron to the BMes/sub 3/ system has a small effect on its ground-state structure. Apart from the slight lengthening of the B-C bonds, the remaining structural parameters are virtually identical.
Research Organization:
Univ. of California, Davis
OSTI ID:
5658850
Journal Information:
J. Am. Chem. Soc.; (United States), Journal Name: J. Am. Chem. Soc.; (United States) Vol. 108:14; ISSN JACSA
Country of Publication:
United States
Language:
English