IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
CH2Br2 | dibromomethane | 112.9 | 113.2 | -0.3 |
CH2Br2 | dibromomethane | 112.9 | 113.2 | -0.3 |
CHBr3 | bromoform | 111.7 | 111.4 | 0.3 |
CBr4 | Carbon tetrabromide | 109.5 | 109.5 | -0.0 |
CBr4 | Carbon tetrabromide | 109.5 | 109.5 | -0.0 |
COBr2 | Carbonic dibromide | 112.3 | 112.5 | -0.2 |
B1B95/6-31G(2df,p) for aBrCBr
Histogram of angle differences (in degrees) vs number of species
Differences greater than 0.9 are in the 0.9 bin. Differences less than -0.3 are in the -0.3 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.3 | -0.2 | -0.1 | 0 | 0.1 | 0.2 | 0.3 | 0.4 | 0.5 | 0.6 | 0.7 | 0.8 | 0.9 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | CH2Br2 | dibromomethane | -0.3 |
Most positive difference | CHBr3 | bromoform | 0.3 |