IV.D.4. (XII.A.2.) |
Compare Bonds
18 10 19 16 31M06-2X/6-311+G(3df,2p) for rMgO
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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8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
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 | MgO | magnesium oxide | -0.020 |
Most positive difference | MgOH | magnesium hydroxide | 0.029 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
MgO | magnesium oxide | 1.749 | -0.020 |
MgOH | magnesium hydroxide | 1.767 | 0.029 |