IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
CHCl3 | Chloroform | 110.9 | 110.0 | 0.9 |
CH2Cl2 | Methylene chloride | 112.2 | 112.6 | -0.4 |
CH2Cl2 | Methylene chloride | 112.2 | 112.6 | -0.4 |
CH3CHCl2 | Ethane, 1,1-dichloro- | 112.0 | 110.4 | 1.6 |
CH2CCl2 | Ethene, 1,1-dichloro- | 114.5 | 116.6 | -2.1 |
CCl2O | Phosgene | 111.9 | 111.8 | 0.1 |
CBrCl3 | Methane, bromotrichloro- | 109.7 | 109.5 | 0.2 |
CF2Cl2 | difluorodichloromethane | 112.6 | 111.3 | 1.3 |
CF2Cl2 | difluorodichloromethane | 112.6 | 111.6 | 1.0 |
CF2CCl2 | difluorodichloroethylene | 119.0 | 118.0 | 1.0 |
CH3CCl2CH3 | Propane, 2,2-dichloro- | 108.3 | 108.4 | -0.1 |
CCSD/cc-pVTZ for aClCCl
Histogram of angle differences (in degrees) vs number of species
Differences greater than 3.5 are in the 3.5 bin. Differences less than -2.5 are in the -2.5 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-2.5 | -2 | -1.5 | -1 | -0.5 | 0 | 0.5 | 1 | 1.5 | 2 | 2.5 | 3 | 3.5 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | CH2CCl2 | Ethene, 1,1-dichloro- | -2.1 |
Most positive difference | CH3CHCl2 | Ethane, 1,1-dichloro- | 1.6 |