NCCN







 









Nitrogen


Nuclear Quadrupole Coupling Constants


in Dicyanogen


 








 


 





  








   







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







Calc / Ref   Reference is for the molecular structure on which calculation was made (see below).

 









Calc / Ref
Expt.
   







14N Xzz - 4.703 [1]





- 4.689 [2]





- 4.714 [3]



 







 








 








Molecular Structure, re [1] NC = 1.1578

 


CC  = 1.3839

 








Molecular Structure, re [2] NC = 1.157976(40)


 


CC = 1.38109(60)


 








Molecular Structure, rs [3] NC = 1.1566(13)





CC  = 1.3848(17)

 








Molecular Structure, ro [4] NC = 1.16(1)





CC  = 1.38(2)

 








 








[1] P.Botschwina and J.Flgge, Chem.Phys.Lett. 180,589(1991).

[2] A.G.Maki, J.Mol.Spectrosc. 269,166(2011).

[3] J.C.Grecu, B.P.Winnewisser, and M.Winnewisser, J.Mol.Spectrosc. 218,246(2003).

[4] H.G.M.Edwards and H.R.Mansour, J.Mol.Struct. 160,209(1987).

 








 








NCCP NCCNO HNCCN+ CNCN

 








 








Table of Contents




Molecules/Nitrogen




 








 













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Last Modified 4 July 2011