Microwave spectrum, torsional barrier, and structure of BH3NH3
- 1 January 1983
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 78 (1), 167-171
- https://doi.org/10.1063/1.444528
Abstract
The microwave spectra of nine isotopic species of borane monoammoniate (11BH3NH3, 10BH3NH3, 11BH3ND3, 10BH3ND3, 11BD3NH3, 11BH3 15NH3, 10BH3 15NH3, 11BD2HNH3, 11BH3ND2H) have been observed. The rotational constants, centrifugal distortion constants, dipole moment, torsional barrier, and molecular geometry of borane monoammoniate were determined from these spectra. The rs structure is: BN=1.6576(16) Å, BH=1.2160(17) Å, NH=1.0140(20) Å, ∠NBH=104.69(11), ∠BNH=110.28(14). The dipole moment is 5.216(17) D. The torsional barrier about the B–N bond, V3, is 2.047(9) kcal mol−1 for 11BH3ND2H and 2.008(4) kcal mol−1 for 11BD2HNH3.Keywords
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