1. Microwave Spectrum, Molecular Structure, and Dipole Moment of Cyclic H2B2O3
- Author
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W. V. F. Brooks, R. F. Porter, and C. C. Costain
- Subjects
Bond dipole moment ,Chemistry ,General Physics and Astronomy ,chemistry.chemical_element ,Ring (chemistry) ,Chemical formula ,Bond length ,Crystallography ,Dipole ,Computational chemistry ,Moment (physics) ,Molecule ,Physical and Theoretical Chemistry ,Boron - Abstract
The molecular structure of H2B2O3(g) has been determined from its microwave spectrum. Six isotopic species, the normal H211B2O3, H211B10BO3, HD11B2O3, D211B2O3, and the two monosubstituted 18O species were studied. The molecule has C2v symmetry, with the boron and oxygen atoms forming a five‐membered ring [Complex chemical formula]. The inertial defect lies in the range Δ = 0.0746±0.0025 u·A2 for all isotopic species, and is consistent with a strictly planar structure. The rs bond lengths determined are: rs(B–H) = 1.182±0.003 A, rs(BOapex) = 1.380±0.003 A, rs(BObase) = 1.365±0.004 A and rs(OO) = 1.470±0.002 A. The angles are ≰BOB = 104°0′, ≰OBO = 113°3′, ≰BOO = 104°57′, and ≰HBOapex = 126°16′, with uncertainties of ±15′. The dipole moment was determined to be μ = 0.95±0.01 D.
- Published
- 1967
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