Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules |
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.050 | -0.040 | -0.030 | -0.020 | -0.010 | 0.000 | 0.010 | 0.020 | 0.030 | 0.040 | 0.050 | 0.060 | 0.070 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | ClOOCl | Dichlorine dioxide | -0.049 |
Most positive difference | O2+ | diatomic oxygen cation | 0.047 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
ClOOCl | Dichlorine dioxide | 1.426 | -0.049 |
H2O2 | Hydrogen peroxide | 1.475 | -0.019 |
HO2 | Hydroperoxy radical | 1.331 | -0.015 |
H2O3 | Hydrogen trioxide | 1.428 | 0.001 |
CH2O2 | Dioxirane | 1.516 | 0.006 |
O3 | Ozone | 1.278 | 0.011 |
O2- | oxygen diatomic anion | 1.350 | 0.022 |
O2 | Oxygen diatomic | 1.208 | 0.024 |
O2+ | diatomic oxygen cation | 1.116 | 0.047 |