HCCN Radical




Nitrogen


Nuclear Quadrupole Coupling Constants


in Cyanomethylene Radical


 







 
A substitution structure of the HCCN radical was derived by Brown, et al. [1].  Calculation of the nitrogen nqcc's was made here on this structure.  These are given in Table 1, structure parameters in Table 2.
 
 
   







Table 1.  Nitrogen nqcc's in HCCN radical (MHz).
   










Calc.
Expt.
   






14N eQq - 3.818
 
   
 
Table 2.  HCCN Molecular structure parameters, r [1] (Å).
 

HC 0.998
CC 1.323
CN 1.195
 
 

[1] F.X.Brown, S.Saito, and S.Yamamoto, J.Mol.Spect. 143,203(1990).
 
 
NO FNF NS CN CH2CN
ONO NSi NCCS CH2CCCN

 








 








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Last Modified 24 Sept 2009