SnCl






 









Chlorine


Nuclear Quadrupole Coupling Constants


in Tin Monochloride Radical


 








 

 
 





  








   







Table 1. Chlorine nqcc's in SnCl (MHz).
   










Calc *
Expt. [1]
   





35Cl eQq1 - 24.62 - 24.9953(57)
 
37Cl eQq1 - 19.40 -
19.7087(67)
 


 







* Method:  B1LYP/TZV(3df,2p) with def-2-TZVP basis for Sn.
  The difference between calculated and experimental 35Cl nqcc's is 0.37 MHz (1.5 %), and for 37Cl, 0.31 MHz (1.6 %).
 
 

Bond Length, ro = 2.36214232(25) Å [1].
 

 








[1] G.S.Grubbs II, D.J.Frohman, S.E.Novick, and S.A.Cooke, J.Mol.Spectrosc. 280,85(2012).

 
 

CCl NCl SiCl OCl
 

 








Table of Contents



Molecules/Chlorine

 








 













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Last Modified 4 Dec 2012