KBr







 









Potassium and Bromine


Nuclear Quadrupole Coupling Constants


in Potassium Bromide


 








 

 





  








   






Table 1. Potassium and Bromine nqcc's in 39K79Br (MHz).
   









Calc.
Expt. [1,2]
   






39K eQqe - 5.046 - 5.0343(28) [1]


eQqo

- 5.0151(9) [1]





-
 5.0149  [2]

 






79Br eQqe
34.27
  9.7442(39) [1]


eQqo


10.2383(7) [1]

 



10.2373  [2]

 







 








 








   






Table 2. Potassium and Bromine nqcc's in 41K79Br (MHz).
   









Calc.
Expt. [2]
   






41K eQq -
 6.123
 - 6.100(11)

 






79Br eQq
34.27
10.2407(87)

 







 








 








   






Table 2. Potassium and Bromine nqcc's in 41K81Br (MHz).
   









Calc.
Expt. [2]
   






41K eQq -
 6.123
 - 6.125(23)

 






81Br eQq
28.63
8.540(19)

 







 








 








Bond Length, re = 2.820809 Å [3]


 








 








[1] F.H.deLeeuw, R.vanWachem, A.Dymanus, J.Chem.Phys. 50,1393(1969).

[2] B.A.Timp, J.L.Doran, S.Iyer, J.-U.Grabow, and K.Leopold, J.Mol.Spectrosc. 271,20(2012).

[3] F.J.Lovas and E.Tiemann, J.Phys.Chem.Ref.Data 3,609(1974).

 








J.Cederberg, J.Randolf, B.McDonald, B.Paulson, and C.McEachern, J.Mol.Spectrosc. 250,114(2008): eQq00(39K) =  -5.0329569(85) MHz, eQq00(79Br) = 9.7396633(60) MHz, and eQq00(81Br) = 8.1364043(50) MHz.

 








"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).

 








 








KF KCl
KI




LiBr NaBr AlBr GaBr

LiCl NaCl AlCl GaCl

 








 








Table of Contents




Molecules/Potassium




Molecules/Bromine




 








 













KBr.html






Last Modified 2 Dec 2011