Microwave spectrum,structure and dipole moment of trimethylamine-borane |
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Authors: | JR Durig YS Li JD Odom |
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Institution: | Department of Chemistry, University of South Carolina, Columbia, S.C. 29208 U.S.A. |
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Abstract: | The ground state rotational spectra often isotopic species of trimethylamineborane, (CH3)3N10BH3, (CH3)3N11BH3, (CH3)3N10BD3, (CH3)3N11BD3, (CH3)3N11BD2H, (CD3)3N10BH3, (CD3)3N11BH3, (CD3)3N10BD3, (CD3)3N11BD3 and (13CH3)(12CH3)2N11BH3, have been measured and the effective moments of inertia obtained. The utilization of Kraitchman's equations leads to an rs value of the B-H distance of 1.211±0.003 Å and a NBH angle of 105.32±0.16°. By a least squares fit of the rotational constants the following structural parameters were obtained: r(NC) = 1.495 Å, r(BN) = 1.609 Å, and ∠BNC = 110.9°. The value of the dipole moment was found to be 4.59±0.13 D. A lower limit to the barrier to internal rotation of the BH3 group was determined to be 3.4 kcal/mole. |
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