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] ().
 



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




 








 













NCNSi.html






Last Modified 3 Oct 2017