IV.D.4. (XII.A.2.) |
Compare Bonds
18 10 19 16 31MP2=FULL/6-311+G(3df,2p) for rClO
Histogram of Bond length differences (in Å) vs number of species
Differences greater than 0.005 are in the 0.005 bin. Differences less than -0.055 are in the -0.055 bin.
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8 | ||||||||||||||||||||||||||||||||||||||||
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2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.055 | -0.050 | -0.045 | -0.040 | -0.035 | -0.030 | -0.025 | -0.020 | -0.015 | -0.010 | -0.005 | 0.000 | 0.005 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | ClO | Monochlorine monoxide | -0.050 |
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 | -0.050 |
HOCl | hypochlorous acid | 1.697 | -0.014 |
OClO | Chlorine dioxide | 1.470 | -0.002 |