IV.D.4. (XII.A.2.) |
Compare Bonds
18 10 19 16 31wB97X-D/6-31G(2df,p) for rClO
Histogram of Bond length differences (in Å) vs number of species
Differences greater than 0.035 are in the 0.035 bin. Differences less than -0.025 are in the -0.025 bin.
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0 | ||||||||||||||||||||||||||||||||||||||||
-0.025 | -0.020 | -0.015 | -0.010 | -0.005 | 0.000 | 0.005 | 0.010 | 0.015 | 0.020 | 0.025 | 0.030 | 0.035 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | ClO | Monochlorine monoxide | -0.023 |
Most positive difference | OClO | Chlorine dioxide | 0.002 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
ClO | Monochlorine monoxide | 1.596 | -0.023 |
HOCl | hypochlorous acid | 1.697 | -0.014 |
OClO | Chlorine dioxide | 1.470 | 0.002 |