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SnCl
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Chlorine |
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Nuclear
Quadrupole Coupling Constants |
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in
Tin Monochloride Radical |
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Table 1. Chlorine nqcc's
in SnCl (MHz). |
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Calc * |
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Expt. [1] |
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35Cl |
eQq1 |
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24.62 |
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24.9953(57) |
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37Cl |
eQq1 |
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19.40 |
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19.7087(67) |
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* Method: B1LYP/TZV(3df,2p)
with def-2-TZVP basis for Sn. |
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The difference between calculated and
experimental 35Cl
nqcc's is 0.37 MHz (1.5 %), and for 37Cl, 0.31 MHz (1.6 %). |
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Bond Length, ro =
2.36214232(25) Å [1]. |
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[1] G.S.Grubbs II, D.J.Frohman,
S.E.Novick, and S.A.Cooke, J.Mol.Spectrosc. 280,85(2012).
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CCl |
NCl |
SiCl |
OCl |
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Table of Contents |
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Molecules/Chlorine |
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SnCl.html |
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Last
Modified 4 Dec 2012 |
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