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18 10 26 16 45

PBEPBE/6-31G* for rOO

Histogram of Bond length differences (in Å) vs number of species


Differences greater than 0.060 are in the 0.060 bin. Differences less than -0.180 are in the -0.180 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart
-0.180 -0.160 -0.140 -0.120 -0.100 -0.080 -0.060 -0.040 -0.020 0.000 0.020 0.040 0.060
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference ClOOCl Dichlorine dioxide-0.165
Most positive difference O2 Oxygen diatomic0.021

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
ClOOCl Dichlorine dioxide 1.426 -0.165
O3 Ozone 1.278 -0.020
H2O2 Hydrogen peroxide 1.475 -0.006
CH2O2 Dioxirane 1.516 0.001
HO2 Hydroperoxy radical 1.331 0.002
O2- oxygen diatomic anion 1.350 0.018
H2O3 Hydrogen trioxide 1.428 0.018
O2+ diatomic oxygen cation 1.116 0.020
O2 Oxygen diatomic 1.208 0.021