NCCNO







 









Nitrogen


Nuclear Quadrupole Coupling Constants


in Cyanogen-N-Oxide


 








 

 
 





 








   







Table 1. 14N nqcc's in NCCNO (MHz).




Calc.
Expt. [1]
   





NCCNO Xzz -
4.328 -
4.21853(53)
 
NCCNO Xzz 0.442
0.4416(13)
 


 







NCCNO, the difference between calculated and experimental nqcc's is 0.110 MHz (2.6%).
 
NCCNO, calculated and experimental nqcc's agree to within the uncertainty in the experimental nqcc.
   

Table 2.  Molecular structure parameters, rs [1] (Å).
NCCNO 1.1606
CC 1.3633
NCCNO 1.1574
NO 1.1933

 

 








[1] Th.Brupbacher, R.K.Bohn, W.Jäger, M.C.L.Gerry, T.Pasinszki, and N.P.C.Westwood, J.Mol.Spectrosc. 181,316 (1997).
 
 

NCCN CNCN HNCCN+ NCCP
 

 








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Molecules/Nitrogen
 

 













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Last Modified 22 May 2003