BCl







 









Boron and Chlorine


Nuclear Quadrupole Coupling Constants


in Boron Monochloride


 








 


 





  








   







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










Calc.
Expt. [1]
   







11B Xzz - 3.997 - 3.70

 



10B Xzz - 8.289
 
35Cl Xzz - 16.63 - 16.737(11)
 
37Cl Xzz - 13.11
 


 







 
For 11B, the difference between calculated and experimental nqcc's is 0.30 MHz (8.1 %).  The experimental nqcc was estimated by lineshape simulation.  For 35Cl, the difference is 0.11 MHz (0.63 %).
   
 

Bond Length, re = 1.715283 Å [2]

 








 








[1] Y.Endo, S.Saito, and E.Hirota, Bull. Chem.Soc.Jpn. 56,3410(1983).
[2] A.G.Maki, F.J.Lovas, and R.D.Suenram, J.Mol.Spectrosc. 91,424 (1982).
 
 

BF BBr AlCl GaCl

 








 








Table of Contents




Molecules/Boron



Molecules/Chlorine

 








 













BCl.html






Last Modified 28 Oct 2008