IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
HClO4 | perchloric acid | 115.0 | 104.9 | 10.1 |
HClO4 | perchloric acid | 114.6 | 113.7 | 0.9 |
HClO4 | perchloric acid | 101.5 | 100.1 | 1.4 |
HClO4 | perchloric acid | 104.2 | 115.5 | -11.3 |
ClFO3 | Perchloryl fluoride | 115.3 | 115.9 | -0.6 |
OClO | Chlorine dioxide | 117.4 | 119.2 | -1.8 |
OClO | Chlorine dioxide | 117.4 | 119.2 | -1.8 |
OClO | Chlorine dioxide | 117.4 | 119.1 | -1.7 |
BLYP/6-31+G** for aOClO
Histogram of angle differences (in degrees) vs number of species
Differences greater than 12 are in the 12 bin. Differences less than -12 are in the -12 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-12 | -10 | -8 | -6 | -4 | -2 | 0 | 2 | 4 | 6 | 8 | 10 | 12 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | HClO4 | perchloric acid | -11.3 |
Most positive difference | HClO4 | perchloric acid | 10.1 |