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KF |
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Potassium |
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Nuclear
Quadrupole Coupling Constants |
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in Potassium Fluoride |
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Table 1. Potassium nqcc's in KF (MHz). |
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Calc. |
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Expt. [1,2] |
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39K |
eQqe |
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8.027 |
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7.981013(8) |
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eQqo |
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7.93387(80) |
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41K |
eQqo |
- |
9.739 |
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9.6569(6) |
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Bond
Length, re = 2.1714824(2) Å
[3], 2.1714558(2) Å [4]. |
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[1] G.Paquette, A.Kotz, J.Cederberg, D.Nitz, A.Kolan, D.Olson,
K.Gunderson, S.Lindaas, and S.Wick, J.Mol.Struct.190,143(1988). |
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[2] H.Dijkerman, W.Flegel, G.Gräff, and
B.Mönter, Z.Naturforsch. 27a,100(1972). |
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[3] F.J.Lovas and E.Tiemann, J.Phys.Chem.Ref.Data
3,609(1974). |
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[4] M.-C.Liu, A.Muntianu, K.-Q.Zhang, P.Colarusso,
and P.F.Bernath, J.Mol.Spectrosc. 180,188(1996). |
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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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KBr |
KCl |
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LiBr |
NaBr |
AlBr |
GaBr |
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LiCl |
NaCl |
AlCl |
GaCl |
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LiF |
NaF |
AlF |
GaF |
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Table of Contents |
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Molecules/Potassium |
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KF.html |
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Last
Modified 3 Sept 2004 |
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