HNCCN+







 









Nitrogen


Nuclear Quadrupole Coupling Constants


in Protonated Cyanogen ion


 








 
 
  





 








   






Table 1. 14N nqcc's in HNCCN+ (MHz).  Calculation was made on the re structure [2].




Calc.
Expt. [1]
   





HNCCN+ Xzz -
 0.108 -
 0.250(8)
 
HNCCN+ Xzz - 5.792 -
 5.480(3)
 


 







   
   






Table 2. 14N nqcc's in HNCCN+ (MHz).  Calculation was made on the semi-experimental re structure [3].




Calc.
Expt. [1]
   





HNCCN+ Xzz -
 0.106 -
 0.250(8)
 
HNCCN+ Xzz - 5.786 -
 5.480(3)
 
 
 
   






Table 3. 14N nqcc's in HNCCN+ (MHz).  Calculation was made on the rs structure [4].




Calc.
Expt. [1]
   





HNCCN+ Xzz -
 0.120 -
 0.250(8)
 
HNCCN+ Xzz - 5.837 -
 5.480(3)
 
 

 
Table 4.  HNCCN+ Molecular structure parameters (Å).
 
re [2] rese [3] rs [4]
HN 1.0126 1.01321(6) 1.005878(6)
NC 1.1404 1.1407(1) 1.14099(4)
CC 1.3731 1.3723(1) 1.37681(6)
CN 1.1625 1.1634(1) 1.15721(2)

 

 







[1] C.A.Gottlieb, A.J.Apponi, M.C.McCarthy, and P.Thaddeus, J.Chem.Phys. 113,1910(2000).

[2] P.Botschwina, J.Flügge, and S.Seeger, J.Mol.Spectrosc. 157,494(1993).
[3] C.Puzzarini and G.Cazzoli, J.Mol.Spectrosc. 256,53(2009).
[4] G.Cazzoli, C. Delgi Esposti. and F.Scappini, J.Chem.Phys. 97,6187(1992).
 
 

NCCN CNCN NCCNO NCCP
 

 








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Molecules/Nitrogen
 

 













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Last Modified 1 March 2009