HCCCNH+












 









Nitrogen


Nuclear Quadrupole Coupling Constants


in Protonated Cyanoacetylene Cation


 








 

 
 





Calculation of the 14N eQq in HCCCNH+ was made on an equilibrium structure derived by Botschwina and Heyl [1].  Calculated and experimental [2] values are compared in Table 1.  Structure parameters are given in Table 2.

 








 








   







Table 1. 14N nqcc's in HCCCNH+ (MHz). 












Calc.
Expt. [2]
   






14N eQq
0.343
0.167(6)

 







 







   








 


Table 2.  HCC-CNH+  Molecular structure parameters ().
 




 re [1]





HC 1.0703

C=C
1.2097


C-C
1.3509


CN 1.1448

NH 1.0079


 








 








[1] P.Botschwina and A.Heyl, Mol.Phys. 97,209(1999).


[2] G.A.Gottlieb, A.J.Apponi, M.C.McCarthy, and P.Thaddeus, J.Chem.Phys. 113(5),1910(2000).

 








 








HCCCN HCN
HCNH+ NCCNH+

 








 








Table of Contents




Molecules/Nitrogen




 








 













HCCCNH+.html






Last Modified 21 March 2015