MICROWAVE SPECTRUM, MOLECULAR STRUCTURE, AND QUADRUPOLE COUPLING IN 2-CHLORO-1,6-DICARBAHEXABORANE(5)
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Date
1970
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Ohio State University
Abstract
The microwave spectrum of 2-chloro-1.6-dicarbahexaborane(5) has been observed in the region of 8 38 GHz. Rotational constants of 9 isotopic species have been assigned, allowing determination of the $B_{4}$ ring structure and the B-Cl bond distance. The B-B distances are 1.67 and 1.71 {\AA}, for the bonds opposite and adjacent to chlorine, respectively. The B-Cl distance is 1.84 {\AA}. The quadrupole coupling constants for $^{25}Cl$ and $^{27}Cl$ have been determined as 50 and 39 MHz, respectively. An attempt is made to explain the coupling constants and structure in terms of delocalization of electron density within the cage structure.
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Author Institution: Department of Chemistry, University of Southern California