N3CN



 









Nitrogen


Nuclear Quadrupole Coupling Constants


in Cyanogen Azide


 







 
Chlorine nqcc's in cyanogen azide were determined by Blackman et al. [1].  A rs/ro molecular structure was derived by Costain and Kroto [2].
 
Calculation was made here of the nqcc's on the rs/ro structure.  These are compared with the experimental nqcc's in Table 1.  Structure parameters are given in Table 2.

 

 




 
 
   






Table 1.  14N nqcc's in N(1)N(2)N(3)CN(4) (MHz).  Calculation was made on the rs/ro structure.
   









Calc.
Expt. [1]
   





N(1) Xaa - 1.005 - 0.75(7)
Xbb 1.916 1.55(5)
Xcc - 0.911 - 0.80(12)
|Xab| 1.512
 
N(2) Xaa - 0.601 - 0.85(7)
Xbb 0.581 0.70(8)
  Xcc 0.019 0.15(15)
|Xab| 0.154
   
N(3) Xaa 4.959 4.82(2)
Xbb - 1.658 - 0.70(8)
Xcc - 3.301 - 4.12(10)
|Xab| 1.660
 
N(4) Xaa - 2.241 - 2.27(4)
Xbb 1.078 1.15(7)
Xcc 1.163 1.12(11)
|Xab| 2.218
 

 

 
Table 2.  N3CN.  Molecular structure parameters, rs/ro [2] (Å and degrees).
 
     N(1)N(2)N(3)CN(4)

ro N(1)N(2) 1.133(10)
ro  N(2)N(3) 1.252(10)
ro  N(3)C 1.312(20)
rs CN(4) 1.164(5)
ro  N(2)N(3)C 120.22(100)
ro  N(3)CN(4) 176.03(200)


 
 
[1] G.L.Blackman, K.Bolton, R.D.Brown, F.R.Burden, and A.Mishra, J.Mol.Spectrosc. 47,457(1973).
[2] C.C.Costain and H.W.Kroto, Can.J.Phys. 50,1453(1972).

 








 








HNNN CH3NNN ClNNN
 

 








Table of Contents




Molecules/Nitrogen



 

 













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Last Modified 3 April 2008