IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
ClNO | Nitrosyl chloride | 113.3 | 113.1 | 0.2 |
ClNO | Nitrosyl chloride | 113.3 | 114.0 | -0.7 |
ClNO | Nitrosyl chloride | 113.3 | 113.1 | 0.2 |
ClNO2 | Nitryl chloride | 114.7 | 114.5 | 0.2 |
ClNO2 | Nitryl chloride | 114.7 | 113.7 | 1.0 |
CCSD/6-31G* for aONCl
Histogram of angle differences (in degrees) vs number of species
Differences greater than 1.6 are in the 1.6 bin. Differences less than -0.8 are in the -0.8 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.8 | -0.6 | -0.4 | -0.2 | 0 | 0.2 | 0.4 | 0.6 | 0.8 | 1 | 1.2 | 1.4 | 1.6 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | ClNO | Nitrosyl chloride | -0.7 |
Most positive difference | ClNO2 | Nitryl chloride | 1.0 |