BrF







 









Bromine


Nuclear Quadrupole Coupling Constants


in Bromine Monofluoride


 








 


 





  








   







Table 1. Bromine nqcc's in BrF (MHz).
   










  Calc.
   Expt. [1]
   






79Br Xzz 1083.48 1086.8920(12)
 
81Br Xzz   905.22   907.97681(116)
 


 







   
The difference between calculated and experimental 79Br nqcc's is 3.41 MHz (0.31 %).  For 81Br, the difference is 2.76 MHz (0.30 %).
 
 

Bond Length, re = 1.755747 Å [2]

 








 








[1] H.S.P.Müller and M.C.L.Gerry, J.Chem. Phys. 103,577(1995).

[2] F.J.Lovas and E.Tiemann, J.Phys.Chem.Ref.Data 3,609(1974).
 
K.P.R.Nair, J.Hoeft, and E.Tiemann, J.Mol.Spectrosc. 78,506(1979).  eqoQ = 1086.80(30) and 908.09(20) MHz; eq1Q = 1085.66(60) and 907.41 MHz.
 
 
ClBr Br2 FCl Cl2

 








 








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Molecules/Bromine

 








 













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Last Modified 2 June 2003