BCl3







 









Boron and Chlorine


Nuclear Quadrupole Coupling Constants


in Trichloroborane


 








 


 




The subscripts x,y,z in Table 1 refer to the principal axes of the nqcc tensor.  For Cl, the z-axis is coincident with the BCl bond axis, and the y-axis is perpendicular to the plane of the molecule.

  








   







Table 1. Boron and Chlorine nqcc's in BCl3 (MHz).
   










Calc.
Expt.
   







11B Xzz 2.544

 



10B Xzz 5.276
 
35Cl Xxx 33.58
Xyy   8.94
Xzz - 42.52
 
37Cl Xxx 26.46
Xyy   7.05
Xzz - 33.51
 


 







Casabella and Oja [2] report for 11B a coupling constant of 2.54 MHz in solid BCl3.
 
 
Molecular Structure, GED [1] BCl = 1.7399 Å

 








 








[1] A.G.Gershikov, V.P.Spiridonov, and E.Z.Zasorin, J.Mol. Struct. 99,1(1983).
[2] P.A.Casabella and T.Oja, J.Chem.Phys. 50,4814(1969).
 
 

BH3 BF3 BH2F BH2Cl
BHF2 BHCl2 BF2Cl BFCl2

 








 








Table of Contents



Molecules/Chlorine

Molecules/Boron



Summary/Boranes   Boron nqcc's in the fluorochloroboranes.

 








 













BCl3.html






Last Modified 28 Oct 2008