BH2F




 

 









Boron


Nuclear Quadrupole Coupling Constants


in Fluoroborane


 







 
 
In Table 1, RMS is the root mean square difference between calculated and experimental nqcc's (percent of average absolute experimental nqcc).  RSD is the residual standard deviation of calibration of the model for calculation of the nqcc's.

 








   







Table 1. Boron nqcc's in BH2F (MHz).
   










Calc.
Expt. [1]
   






11B Xaa - 1.149 - 1.34(20)
Xbb - 3.355 - 3.37(20)
Xcc 4.505 4.71(20)
 
RMS 0.16   (5.2 %)
RSD 0.046 (2.1 %)
 
10B Xaa - 2.384 - 2.79(20)
Xbb - 6.958 - 7.03(20)
  Xcc 9.342 9.82(20)
 
RMS 0.36   (5.6 %)
RSD 0.102 (2.1 %)
 


 







 
 
Table 2. Molecular structure parameters, rs [1] (Å and degrees).
BH 1.1973
BF 1.3157
HBH 124.57


 
 

[1] H.Takeo, M.Sugie, and C.Matsumura, J.Mol.Spectrosc. 158,201(1993).

 








 








BHCl2 BCl3 BF2Cl BFCl2
BF3 BH2Cl BHF2 BH3
 

 








Table of Contents



Molecules/Boron
Summary/Boranes   Boron nqcc's in the fluorochloroboranes.
 

 













BH2F.html






Last Modified 30 Oct 2008