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NaCl |
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Sodium
and Chlorine |
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Nuclear
Quadrupole Coupling Constants |
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in
Sodium Chloride |
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Table 1. Sodium and Chlorine
nqcc's in NaCl (MHz). |
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Calc. |
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Expt. [1] |
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23Na |
eQqe |
- |
5.623 |
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5.7062(38) |
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eQqo |
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5.6698(60) |
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35Cl |
eQqe |
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5.5599(38) |
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eQqo |
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5.6468(60) |
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Bond
Length, re = 2.360778197(372) Ċ [2] |
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[1] F.H.deLeeuw, R.vanWachem,
and A.Dymanus, J.Chem.Phys. 53,981(1970). |
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[2] M.Caris, F.Lewen,
H.S.P.Müller, and G.Winnewisser, J.Mol.Struct. 695-696,243(2004). |
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"High-resolution rotational spectrum, Dunham coefficients, and potential energy function od NaCl" C.Cabezas, et al. ApJ. 825:150 (10pp), 2016 July 10.
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"Nuclear quadrupole coupling
constants in alkali halide molecules: an ab initio
quantum chemical study" G.B.Bacskay and A.D.Buckingham, Mol.Phys.
91,391(1997). |
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"Vibrational-rotational dependence of
molecular properties, Electric
field gradients for HCl, LiCl, NaCl and KCl" M.Seth, M.Pernpointner,
G.A.Bowmaker, and P.Schwerdtfeger, Mol.Phys. 96,1767(1999). |
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NaF |
NaBr |
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LiBr |
KBr |
AlBr |
GaBr |
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LiCl |
KCl |
AlCl |
GaCl |
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Table of Contents |
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Molecules/Sodium |
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Molecules/Chlorine |
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NaCl.html |
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Last
Modified 6 Dec 2004 |
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