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18 10 26 16 45

G3 for rOH

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


Differences greater than 0.080 are in the 0.080 bin. Differences less than -0.040 are in the -0.040 bin.

histogram chart 12
histogram chart 10 histogram chart
histogram chart 8 histogram chart
histogram chart 6 histogram chart
histogram chart 4 histogram chart histogram chart
histogram chart 2 histogram chart histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.040 -0.030 -0.020 -0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference HOCH2COOH Hydroxyacetic acid-0.036
Most positive difference KOH Potassium hydroxide0.032

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
HOCH2COOH Hydroxyacetic acid 0.989 -0.036
C3H8O2 1,3-Propanediol 0.980 -0.033
LiOH lithium hydroxide 0.969 -0.031
HOCl hypochlorous acid 0.973 -0.022
HClO4 perchloric acid 0.980 -0.020
HCOOH Formic acid 0.972 -0.019
HO2 Hydroperoxy radical 0.971 -0.019
OH+ hydoxyl cation 1.029 -0.016
NH2OH hydroxylamine 0.962 -0.015
C3H6O 2-Propen-1-ol 0.960 -0.013
HOSH hydrogen thioperoxide 0.961 -0.012
H2O+ water cation 0.999 -0.012
OH Hydroxyl radical 0.970 -0.011
H2O Water 0.958 -0.011
HOBr Hypobromous acid 0.961 -0.010
CH3OH Methyl alcohol 0.956 -0.010
CH2NOH formaldoxime 0.956 -0.009
HNO3 Nitric acid 0.964 -0.009
HOF Hypofluorous acid 0.960 -0.008
H3O+ hydronium cation 0.976 -0.007
HOCH2COOH Hydroxyacetic acid 0.956 -0.005
H2O3 Hydrogen trioxide 0.963 -0.005
MgOH magnesium hydroxide 0.940 -0.002
OH- hydroxide anion 0.964 -0.001
KOH Potassium hydroxide 0.912 0.032