CF3Cl







 









Chlorine


Nuclear Quadrupole Coupling Constants


in Chlorotrifluoromethane


 








 

 
 





 








   







Table 1. Chlorine nqcc's in CF3Cl (MHz).
   










Calc.
Expt. [1]
   





35Cl Xzz - 78.28 - 77.902(30)
 
37Cl Xzz - 61.70 - 61.496(166)
 


 







The difference between calculated and experimental 35Cl nqcc's is 0.38 MHz (0.49 %).  For 37Cl, the difference is 0.20 MHz (0.32 %).
 
   

Table 2.  Structure parameters, mw + ed, rav [2] (Å and degrees).
CCl 1.7522
CF 1.3248
FCF 108.57

 

 








[1] J.H.Carpenter, J.D.Muse, C.E.Small, and J.G.Smith, J.Mol. Spectrosc. 93,286(1982).
[2] V.Typke, M.Dakkouri, and H.Oberhammer, J.Mol.Struct. 44,85(1978).
 
 

CH3Cl CFCl3 CHCl3 CH2Cl2

CH3Br CF3Br CF2Cl2
 

 








Table of Contents



Molecules/Chlorine

 













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Last Modified 3 June 2003