HCCNSi





 





 









 









 










Nitrogen


Nuclear Quadrupole Coupling Constants


in Silaisocyanoacetylene


 








 

 
 





The nitrogen nqcc in HCCNSi was 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 HCCNSi (MHz).

 









Calc.
Expt. [1]

 






14N eQq
0.883
0.890(2)

 







 







   












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



HC 1.0605(1)

CC 1.2117(1)

CN 1.3049(2)

NSi 1.5663(2)


 








 








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


 








 








HCCNC HCCCCNSi NCNSi



 








 








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Molecules/Nitrogen




 








 













HCCNSi.html






Last Modified 3 Oct 2017