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FCCCN |
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Nitrogen |
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Nuclear
Quadrupole Coupling Constants |
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in Fluorocyanoacetylene |
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Table 1. Nitrogen nqcc's in FCCCN (MHz). |
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Calc. |
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Expt / Ref |
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14N |
Xzz |
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4.285 |
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4.23913(77) [1] |
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4.2513(47) [2] |
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Difference between calculated and experimental [1] nqcc's is
46 kHz (1.1%). |
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Difference between calculated and experimental [2] nqcc's is
34 kHz (0.80%). |
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| Table 2. Structure parameters ro [3] (Å). |
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FC |
1.2702 |
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FCC |
1.2011 |
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CCN |
1.3688 |
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CN |
1.1597 |
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[1] T.Ogata, C.Styger, and M.C.L.Gerry, J.Mol.Spectrosc. 156,239(1992). |
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[2] M.Krüger, I.Merke, and H.Dreizler,
Z.Naturforsch. 47a,1241(1992). |
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[3] T.Okabayashi, M.Tanimoto, K.Tanaka,
J.Mol.Spectrosc. 174,595 (1995). |
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HCCCN |
HCN |
FCN |
ClCN |
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BrCN |
CH3CN |
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Table of Contents |
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Molecules/Nitrogen |
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FCCCN.html |
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Last
Modified 22 May 2003 |
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