SiH3Br







 









Bromine


Nuclear Quadrupole Coupling Constants


in Silyl Bromide


 








 

 
 





 








   







Table 1. Bromine nqcc's in SiH3Br (MHz).  Calculation was made on the equilibrium structure of Demaisaon et al. [2].
   










Calc.
Expt. [1]
   






79Br Xzz
337.81
334.981(8)

 






81Br Xzz
282.23
279.825(5)

 







 








The difference between calculated and experimental 79Br nqcc's is 2.83 MHz (0.84 %).  For 81Br, the difference is 2.41 MHz (0.86 %).
   








 


Table 2. Structure parameters, re [2] (Ċ and degrees).
 




SiBr 2.2070


SiH 1.4696


BrSiH 108.38


 








 








[1] K.F.Dössel and D.H.Sutter, Z.Naturforsch. 34a,469(1979); 32a,1444(1977).


[2] J.Demaison, J.Cosléou, H.Bürger, and E.B.Mkadmi, J.Mol.Spectrosc. 185,384(1997).

 








H.Bürger, J.Cosléou, J.Demaison, E.B.Mkadmi, and M.Paplewski, J.Mol.Spectrosc. 182,205(1997).  In SiD3Br, eqQo(79Br) = 334.16(4) MHz and eqQo(81Br) = 280.1(13) MHz.

 








 








CH3Br SiF3Br GeH3Br CF3Br

CH3Cl CF3Cl SiH3Cl


 








 








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Molecules/Bromine




 













SiH3Br.html






Last Modified 25 Jan 2006