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BH2F
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Boron |
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Nuclear
Quadrupole Coupling Constants |
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in Fluoroborane |
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In Table 1, RMS is the root mean
square difference between calculated and experimental nqcc's (percent
of average absolute experimental nqcc). RSD is the residual
standard deviation of calibration of the model for calculation of the
nqcc's. |
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Table 1. Boron nqcc's
in BH2F (MHz). |
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Calc. |
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Expt. [1] |
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11B |
Xaa |
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1.149 |
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1.34(20) |
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Xbb |
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3.355 |
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3.37(20) |
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Xcc |
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4.505 |
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4.71(20) |
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RMS |
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0.16 (5.2 %) |
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RSD |
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0.046 (2.1 %) |
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10B |
Xaa |
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2.384 |
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2.79(20) |
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Xbb |
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6.958 |
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7.03(20) |
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Xcc |
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9.342 |
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9.82(20) |
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RMS |
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0.36 (5.6 %) |
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RSD |
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0.102 (2.1 %) |
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Table 2. Molecular structure parameters, rs [1] (Å
and degrees). |
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BH |
1.1973 |
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BF |
1.3157 |
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HBH |
124.57 |
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[1] H.Takeo, M.Sugie, and C.Matsumura, J.Mol.Spectrosc. 158,201(1993). |
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BHCl2 |
BCl3 |
BF2Cl |
BFCl2 |
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BF3 |
BH2Cl |
BHF2 |
BH3 |
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Table of Contents |
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Molecules/Boron |
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Summary/Boranes Boron
nqcc's in the fluorochloroboranes. |
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BH2F.html |
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Last
Modified 30 Oct 2008 |
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