NaNH2




 





 





 





 









Sodium and Nitrogen



Nuclear Quadrupole Coupling Constants


in Sodium Amide



 








 








 








Calculation was made here of the sodium and nitrogen nqcc tensors in NaNH2NaNH2NaNH2NaNH2NaNH2 on the ro structure of Burton et al. [1].  These calculated nqcc's are given in Table 1, along with the experimental Xaa for 23Na.  Structure parameters are given in Table 2.


 








In Table 1, the subscripts a,b,c refer to the principal axes of the inertia tensor.  RSD is the calibration residual standard deviation for the model for calculation of the nqcc's.

 








 








   







Table 1.  Sodium and Nitrogen nqcc's in NaNH2 (MHz).  Calculation was made on the ro structure.
   










  Calc.
Expt. [2]

   







23Na Xaa -
7.952
-
7.688(35)



Xbb
5.558





Xcc
2.394




 







RSD
0.049 (1.1 %)




 






14N Xaa
0.123





Xbb
2.990





Xcc -
3.113




 








RSD

0.030 (1.3 %)




 








 








 








 







 



Table 2.  NaNH2 Molecular structure parameters, planar, ro [1] ( and degrees). 
 

NaN
2.091(3)
NH
1.008(3)
HNH
106.6(1)






 








 








LiNH2
NaCCCN
NaOH

NaBH4



 









 









[1] M.A.Burton, B.Russ, P.M.Sheridan, and L.M.Ziurys, Abstract WJ07, 74th International Symposium on Molecular Spectroscopy, Champaign-Urbana, Ill 2019.


 








 








Table of Contents




Molecules/Sodium




Molecules/Nitrogen





 








 













LiNH2.html






Last Modified 9 Sept 2019