PF2NH2




 








Nitrogen


Nuclear Quadrupole Coupling Constants


in Aminodifluorophosphine


 







 
 
RMS is the root mean square difference between calculated and experimental nqcc's (percentage of average experimental nqcc).  RSD is the residual stand deviation of calibration of the model for calculation of the nqcc's.
 
 
   







Table 1. Nitrogen nqcc's in PF2NH2 (MHz).  Calculation was made on the effective structure of Brittain et al. [1].
   










Calc.
Expt. [1]
   






14N Xaa 1.840 1.65(13)
Xbb - 4.198 - 3.45(25)
Xcc 2.358 1.80(25)
|Xab| 0.135
 
RMS 0.55 (24 %)
RSD 0.030 (1.3 %)
 
 
 
Table 2. Structure parameters, ro [1] (Å and degrees).
 
 
[1] A.H.Brittain, J.E.Smith, P.L.Lee, K.Cohn, and R.H.Schwendeman, J.Amer.Chem.Soc. 93,6772(1971).

 








 








NH2F NH2Cl NH2OH PF2CN
 

 








Table of Contents



Molecules/Nitrogen
 

 













PF2NH2.html






Last Modified 23 May 2003