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BrCH2CN
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Nitrogen and Bromine |
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Nuclear
Quadrupole Coupling Constants |
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in Bromoacetonitrile |
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Table 1. Nitrogen and Bromine nqcc's
in 79BrCH2C14N (MHz). |
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Calc. |
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Expt. [1] |
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14N |
Xaa |
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2.267 |
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2.20007(26) |
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Xbb |
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0.416 |
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0.18407 |
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Xcc |
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1.852 |
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2.01600 |
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|Xab| |
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3.030 |
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3.0821(23) |
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79Br |
Xaa |
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331.9 |
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350.46246(24) |
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Xbb |
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- 4.4 |
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- 29.85428 |
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Xcc |
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327.5 |
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320.60818 |
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|Xab| |
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462.0 |
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435.2430(15) |
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| Table 2. Molecular structure parameters ro
[2] (Å and degrees). * Assumed value. |
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CBr |
1.901(20) |
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CC |
1.487(20) |
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CN |
1.158 * |
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CH |
1.107(20) |
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H···H |
1.718 * |
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CCBr |
111.53(150) |
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CCH |
102.87(150) |
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CCN |
180 * |
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[1] Y.Xu, W.Jäger, M.C.L.Gerry, and I.Merke,
J.Mol.Spectrosc. 160,258(1993). |
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[2] M.L.Gum and J.D.Graybeal, J.Mol.Spectrosc. 62,364(1976). |
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CH3Br |
CH3CN |
CHF2Br |
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CF2BrCl |
ClCH2CN |
CH2BrCl |
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Table of Contents |
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Molecules/Nitrogen |
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Molecules/Bromine |
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BrCH2CN.html |
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Last
Modified 6 Feb 2005 |
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