IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
CHCl3 | Chloroform | 108.0 | 107.9 | 0.0 |
CHCl3 | Chloroform | 108.0 | 107.9 | 0.1 |
CH3Cl | Methyl chloride | 108.2 | 108.1 | 0.0 |
CH3Cl | Methyl chloride | 108.2 | 108.1 | 0.0 |
CH3Cl | Methyl chloride | 108.2 | 108.1 | 0.0 |
CH2Cl2 | Methylene chloride | 108.1 | 108.1 | 0.0 |
CH2Cl2 | Methylene chloride | 108.1 | 108.1 | 0.0 |
CHF2Cl | difluorochloromethane | 110.7 | 107.2 | 3.5 |
CH2ClCHClCH3 | Propane, 1,2-dichloro- | 109.0 | 105.5 | 3.5 |
CHClCHCl | Ethene, 1,2-dichloro-, (Z)- | 112.6 | 114.3 | -1.7 |
CH2FCl | fluorochloromethane | 109.4 | 106.3 | 3.1 |
CH2ClI | chloroiodomethane | 108.7 | 108.6 | 0.1 |
CHFClBr | fluorochlorobromomethane | 108.5 | 107.6 | 0.9 |
CHFClBr | fluorochlorobromomethane | 108.5 | 107.5 | 1.0 |
CH2CHCH2CH2Cl | 1-Butene, 4-chloro- | 106.5 | 105.9 | 0.6 |
HCCl | Chloromethylene | 101.4 | 101.0 | 0.4 |
HCCl | Chloromethylene | 101.4 | 125.9 | -24.5 |
B3LYP/3-21G* for aHCCl
Histogram of angle differences (in degrees) vs number of species
Differences greater than 35 are in the 35 bin. Differences less than -25 are in the -25 bin.
14 | ||||||||||||||||||||||||||||||||||||||||
12 | ||||||||||||||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-25 | -20 | -15 | -10 | -5 | 0 | 5 | 10 | 15 | 20 | 25 | 30 | 35 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | HCCl | Chloromethylene | -24.5 |
Most positive difference | CHF2Cl | difluorochloromethane | 3.5 |