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HBO |
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Deuterium and Boron |
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Nuclear
Quadrupole Coupling Constants |
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in Oxoborane |
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Table 1. Deuterium and Boron nqcc's in HBO (MHz). |
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Calc. |
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Expt. |
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2H |
Xzz |
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0.1434 |
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11B |
Xzz |
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3.657 |
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3.80(10) [1] |
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10B |
Xzz |
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7.585 |
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8.21(48) [2] |
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The difference between calculated and experimental 11B
nqcc's is 0.14 MHz (3.8 %). For 10B, the difference is
0.62 MHz (7.5 %). |
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Molecular Structure, re [2] |
HB = 1.16667 Å |
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BO = 1.20068 Å |
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[1] Y.Kawashima, Y.Endo, K.Kawaguchi, and E.Hirota, Chem. Phys.Lett. 135,441(1987). |
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[2] Y.Kawashima, Y.Endo, and E.Hirota, J.Mol.Spectrosc. 133, 116(1989). |
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FBO |
ClBO |
BrBO |
HBS |
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FBS |
ClBS |
BrBS |
CH3BS |
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Table of Contents |
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Molecules/Deuterium |
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Molecules/Boron |
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HBO.html |
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Last
Modified 28 Oct 2008 |
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