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18 10 26 16 45

B2PLYP/6-31G for rOO

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


Differences greater than 0.200 are in the 0.200 bin. Differences less than -0.040 are in the -0.040 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4 histogram chart
histogram chart 2 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart
-0.040 -0.020 0.000 0.020 0.040 0.060 0.080 0.100 0.120 0.140 0.160 0.180 0.200
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference ClOOCl Dichlorine dioxide-0.030
Most positive difference O3 Ozone0.092

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
ClOOCl Dichlorine dioxide 1.426 -0.030
H2O2 Hydrogen peroxide 1.475 0.071
HO2 Hydroperoxy radical 1.331 0.072
O2+ diatomic oxygen cation 1.116 0.073
O2 Oxygen diatomic 1.208 0.075
O2- oxygen diatomic anion 1.350 0.089
O3 Ozone 1.278 0.092