NaF







 









Sodium


Nuclear Quadrupole Coupling Constants


in Sodium Fluoride


 








 


 





  








   







Table 1. Sodium nqcc's in NaF (MHz).
   










Calc.
Expt. [1,2]
   






23Na eQqe - 8.536 - 8.4980(26)  [1]
eQqo - 8.4401(15)  [1]
- 8.495567(32)  [2]
 


 







 

Bond Length, re = 1.9259648(30) Å [3]

 








 








[1] C.D.Hollowell, A.J.Herbert, and K.Street Jr., J.Chem.Phys. 41,3540(1964).
[2] J.Cederberg, L.Kang, C.Conklin, and E.Berger, J.Mol.Spectrosc. 263,142(2010).
[3] F.J.Lovas and E.Tiemann, J.Phys.Chem.Ref.Data 3,609(1974).
 
"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).
 
 
NaCl NaBr
LiBr KBr AlBr GaBr
LiCl KCl AlCl GaCl

 








 








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Molecules/Sodium




 








 













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Last Modified 6 Dec 2004