FCCCN







 









Nitrogen


Nuclear Quadrupole Coupling Constants


in Fluorocyanoacetylene


 








 

 
 





 








   







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










Calc.
Expt / Ref
 
14N Xzz - 4.285 - 4.23913(77)  [1]
- 4.2513(47) [2]
 


 







Difference between calculated and experimental [1] nqcc's is 46 kHz (1.1%).
Difference between calculated and experimental [2] nqcc's is 34 kHz (0.80%).
 
   

Table 2.  Structure parameters ro [3] (Å).
FC 1.2702
FCC 1.2011
CCN 1.3688
CN 1.1597

 

 








[1] T.Ogata, C.Styger, and M.C.L.Gerry, J.Mol.Spectrosc. 156,239(1992).
[2] M.Krüger, I.Merke, and H.Dreizler, Z.Naturforsch. 47a,1241(1992).
[3] T.Okabayashi, M.Tanimoto, K.Tanaka, J.Mol.Spectrosc. 174,595 (1995).
 
 

HCCCN HCN FCN ClCN

BrCN CH3CN
 

 








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Molecules/Nitrogen
 

 













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Last Modified 22 May 2003