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 | 111.7 | 1.2 |
CH2Br2 | dibromomethane | 112.9 | 111.7 | 1.2 |
CHBr3 | bromoform | 111.7 | 110.6 | 1.1 |
CBr4 | Carbon tetrabromide | 109.5 | 109.5 | -0.0 |
CBr4 | Carbon tetrabromide | 109.5 | 109.5 | -0.0 |
COBr2 | Carbonic dibromide | 112.3 | 109.5 | 2.8 |
MP2/3-21G* for aBrCBr
Histogram of angle differences (in degrees) vs number of species
Differences greater than 5.5 are in the 5.5 bin. Differences less than -0.5 are in the -0.5 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.5 | 0 | 0.5 | 1 | 1.5 | 2 | 2.5 | 3 | 3.5 | 4 | 4.5 | 5 | 5.5 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | CBr4 | Carbon tetrabromide | -0.0 |
Most positive difference | COBr2 | Carbonic dibromide | 2.8 |