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CH3PH2BH3
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Boron |
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Nuclear
Quadrupole Coupling Constants |
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in Methylphosphine Borane |
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Table 1. Boron nqcc's
in CH3PH2BH3 (MHz). Calculation was made on the rs structure of Bryan and Kuczkowski [1].
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Calc. |
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Expt. [2]
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11B |
Xaa |
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0.911 |
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0.975(11)
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Xbb |
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0.118 |
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0.104(12)
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Xcc |
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0.793 |
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0.872(12)
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|Xab| |
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1.125 |
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RMS
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0.059 (9.1 %)
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10B |
Xaa |
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1.811 |
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Xbb |
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0.167 |
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Xcc |
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1.644 |
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|Xab| |
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2.367 |
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Table 2. Boron nqcc's
in CH3PH2BD3 (MHz). Calculation was made on the rs structure of Bryan and Kuczkowski [1].
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Calc. |
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Expt. [2]
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11B |
Xaa |
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1.006 |
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1.085(10)
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Xbb |
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0.213 |
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0.155(11)
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Xcc |
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0.793 |
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0.930(11)
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|Xab| |
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1.076 |
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RMS
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0.097 (13.4 %)
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10B |
Xaa |
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2.036 |
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Xbb |
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0.391 |
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Xcc |
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1.644 |
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|Xab| |
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2.260 |
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[1] P.S.Bryan and R.L.Kuczkowski, Inorg.Chem. 11,553(1972). |
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[2] W.Kasten, H.Dreizler, R.L.Kuczkowski, and M.Soltis LaBarge, Z.Naturforsch. 41a,835(1986).
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BH3NH3 |
BH3CO |
F3PBH3 |
(CH3)3NBH3 |
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Table of Contents |
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Molecules/Boron |
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CH3PH2BH3.html |
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Last
Modified 31 Oct 2008 |
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