HNC







 









Nitrogen


Nuclear Quadrupole Coupling Constants


in Hydrogen Isocyanide


 








 

 
 





 








   







Table 1. Nitrogen nqcc's in HNC (MHz).
   






Calc / Ref   Reference is for the structure on which calculation was made.
 




Calc / Ref
Expt. [1]
   





14N Xzz
0.423 [2]
0.28(3)
  0.417 [3]
 


 







Difference between calculated and experimental nqcc's is 0.14 MHz (50 %).
   

Table 2.  Structure parameters (Å).
re [2] re [3]
HC 0.9960643 0.9940
CN 1.1683506 1.1689

 

 








[1] M.A.Frerking, W.D.Langer, and R.W.Wilson, Ap.J.(Lett.) 232,L65 (1979).
[2] N.C.Handy, J.Chem. Phys. 97,1606(1992).
[3] R.A.Creswell and A.G.Robiette, Mol.Phys. 36,869(1978).
 
 

HCN HCCNC CH3NC

CNCN LiNC CF3NC
 

 








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Molecules/Nitrogen
 

 













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Last Modified 22 May 2003