NBr Triplet






 









Bromine


Nuclear Quadrupole Coupling Constants


in Nitrogen Monobromide Radical


 








 

 
 





  








   







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










Calc.
Expt. [1]
   





79Br eQq - 491.7 - 505.9(57)
 
81Br eQq - 410.8 -
428.6(50)
 


 







  Difference between calculated and experimental 79Br nqcc's is 14.2 MHz (2.8 %).  For 81Br, the difference is 17.8 MHz (4.2 %).
 
 

Bond Length, r= 1.77799(11) Å [1].
 

 







[1] T.Sakamaki, T.Okabayashi, and M.Tanimoto, J.Chem.Phys. 109,7169(1998).
 
 

NCl OCl SiCl NO
CCl CN NS
 

 








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Last Modified 12 Sept 2003