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KCl |
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Potassium
and Chlorine |
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Nuclear
Quadrupole Coupling Constants |
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in
Potassium Chloride |
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Table 1. Potassium and Chlorine
nqcc's in KCl (MHz). |
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Calc. |
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Expt. [1] |
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39K |
eQqe |
- |
5.672 |
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5.69147(4) |
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eQqo |
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5.6682 |
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41K |
eQqo |
- |
6.882 |
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6.899 |
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35Cl |
eQqe |
- |
3.03 |
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0.1370(3) |
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Bond
Length, re = 2.6666830 Å [2] |
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[1] D.Nitz, J.Cederberg, A.Kotz,
K.Hetzler, T.Aakre, and T.Walhout, J.Mol.Spectrosc. 108,6(1984). |
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[2] F.J.Lovas and E.Tiemann,
J.Phys.Chem.Ref.Data 3,609(1974). |
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M.Caris, F.Lewen, G.S.P.Müller,
and G.Winnewisser, J.Mol.Struct. 695-696,243(2004): re(KCl)
= 2.666631286(318) Å. |
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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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KBr |
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LiBr |
NaBr |
AlBr |
GaBr |
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LiCl |
NaCl |
AlCl |
GaCl |
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Table of Contents |
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Molecules/Potassium |
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Molecules/Chlorine |
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KCl.html |
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Last
Modified 3 Sept 2004 |
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