CCCN radical




 

 






Nitrogen


Nuclear Quadrupole Coupling Constants


in Cyanoethynyl Radical


 








 

 
 




Calculation of eQq for 14N in the CCCN radical was made on an equilibrium structure derived by McCarthy et al. [1].  The result is shown in Table 1.  Structure parameters are given in Table 2.
 

 








   







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




Calc.
Expt.
   





14N eQq - 4.369

 


 







   

Table 2.  Cyanoethynyl radical.  Structure parameters (Å).
 
CC 1.2116
C-C 1.3746
CN 1.1609

 

 







[1] M.C.McCarthy, C.A.Gottlieb, P.Thaddeus, M.Horn, and P.Botschwina J.Chem.Phys. 103,7820(1995).
 
 

CN Anion CN Radical CCCN Anion HCCCN
 

 








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Molecules/Nitrogen
 

 













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Last Modified 9 Dec 2012