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NaF |
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Sodium |
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Nuclear
Quadrupole Coupling Constants |
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in
Sodium Fluoride |
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Table 1. Sodium nqcc's in NaF
(MHz). |
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Calc. |
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Expt. [1,2] |
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23Na |
eQqe |
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8.536 |
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8.4980(26) [1] |
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eQqo |
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8.4401(15) [1] |
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8.495567(32) [2] |
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Bond
Length, re = 1.9259648(30) Å [3] |
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[1] C.D.Hollowell, A.J.Herbert,
and K.Street Jr., J.Chem.Phys. 41,3540(1964). |
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[2] J.Cederberg, L.Kang, C.Conklin,
and E.Berger, J.Mol.Spectrosc. 263,142(2010). |
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[3] F.J.Lovas and E.Tiemann,
J.Phys.Chem.Ref.Data 3,609(1974). |
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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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NaCl |
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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NaF.html |
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Last
Modified 6 Dec 2004 |
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