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BHCl2
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PDF |
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Boron and Chlorine |
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Nuclear
Quadrupole Coupling Constants |
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in Dichloroborane |
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Table 1. Boron nqcc's
in BHCl2 (MHz). |
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Calc. |
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Expt. [1] |
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11B |
Xaa |
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0.682 |
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0.4(10) |
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Xbb |
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2.838 |
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3.3(5) |
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Xcc |
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3.520 |
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2.9(11) |
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10B |
Xaa |
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1.413 |
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Xbb |
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5.886 |
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Xcc |
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7.299 |
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Table 2. Chlorine nqcc's
in BHCl2 (MHz). |
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Calc. |
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Expt. [1] |
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35Cl |
Xaa |
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20.99 |
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21.4(10) |
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Xbb |
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16.76 |
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16.4(5) |
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Xcc |
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4.23 |
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5.0 |
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Xab |
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30.00 |
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Xxx |
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33.33 |
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Xyy |
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4.23 |
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Xzz |
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37.56 |
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ETA |
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0.775 |
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Øz,a |
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28.9 |
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Øa,BCl |
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29.8 |
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Øz,BCl |
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0.9 |
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37Cl |
Xaa |
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16.54 |
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Xbb |
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13.21 |
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Xcc |
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3.33 |
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Xab |
± |
23.65 |
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The angle between the two z-axes is 1.8o larger than
the ClBCl angle. This is typical of the XCl2 dichloride
moiety. |
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Table 2. Molecular structure parameters, rs [1] (Å
and degrees). |
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BH |
1.184 |
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BCl |
1.735 |
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ClBCl |
120.4 |
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[1] M.Sugie, H.Takeo, and C.Matsumura, Spectrochimica Acta 50A,
1379(1994). |
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BH2Cl |
BCl3 |
BF2Cl |
BFCl2 |
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BF3 |
BF2H |
BFH2 |
BH3 |
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CH3BCl2 |
OCl2 |
SCl2 |
CH2CCl2 |
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OCCl2 |
CH2Cl2 |
SCCl2 |
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Table of Contents |
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Molecules/Boron |
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Molecules/Chlorine |
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Summary/Boranes Boron
nqcc's in the fluorochloroboranes. |
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BHCl2.html |
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Last
Modified 30 Oct 2008 |
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