CH3BF2

















 





 






Boron


Nuclear Quadrupole Coupling Constants


in Difluoromethylborane


 








 








 








   







Table 1. Boron nqcc's in CH3BF2 (MHz).
   










Calc.
Expt. [1]
   







11B Xaa - 2.661 - 2.713(21)


Xbb - 0.743 - 0.695(27)


Xcc
3.404
3.408(27)


|Xac|
0.006



 







RMS
0.041 (1.8 %)




RSD
0.046 (2.1 %)



 






10B Xaa - 5.518




Xbb - 1.540




Xcc
7.058




|Xac|
0.011



 








RSD

0.102 (2.1 %)




 







 








 







 



Table 2. Molecular structure parameters, rs [2] (Å and degrees).




CH 1.1024

CB 1.5642

BF 1.3150

HCH 108.56

BCH 110.37

FBF 116.80



 








 








[1] L.Engelbrecht and D.Sutter, Third European Microwave Spectroscopy Conference, Venice, 1974.  Cited in Ref. [2].

[2] P.R.R.Langridge-Smith, R.Stevens, and A.P.Cox, J.Chem.Soc. Faraday 2, 75,1620(1979).

 








 








CH3BCl2 HBF2 ClBF2 BF2NH2

HCCBF2 C6H5BF2 BF2OH CH3BBr2

 








 








Table of Contents




Molecules/Boron




 








 













CH3BF2.html






Last Modified 15 Sept 2015