NCNSi




 





 








 








 









Nitrogen


Nuclear Quadrupole Coupling Constants


in Silaisocyanogen


 








 
 
  





The nitrogen nqcc's in NCNSi were measured by Thorwirth et al. [1], which authors also derived a reemp molecular structure.

 








Calculation was made here of the nitrogen nqcc on this structure.  Calculated and experimental nqcc's are compared in Table 1.  Structure parameters are given in Table 2.

 








 








   






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

 









Calc.
Expt. [1]

 






14Ninner eQq
1.274
1.339(2)

 






14Nouter eQq -
 3.296
 -
 3.293(1)










 







   












Table 2.  Structure parameters, reemp [1] (Å).
 



NC 1.1656(1)

CN 1.3037(2)

NSi 1.5640(2)


 








 








[1] S.Thorwirth, R.I.Kaiser, K.N.Crabtree, and M.C.McCarthy, Chem.Commun. 51,11305(2015).

 








 








NCNC HCCCCNSi HCCNSi


 








 








Table of Contents




Molecules/Nitrogen




 








 













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Last Modified 3 Oct 2017