IV.D.4. (XII.A.2.) |
Compare Bonds
18 10 19 16 31G2 for rOCa
Histogram of Bond length differences (in Å) vs number of species
Differences greater than 0.220 are in the 0.220 bin. Differences less than -0.020 are in the -0.020 bin.
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8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.020 | 0.000 | 0.020 | 0.040 | 0.060 | 0.080 | 0.100 | 0.120 | 0.140 | 0.160 | 0.180 | 0.200 | 0.220 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | CaOH | Calcium monohydroxide | 0.094 |
Most positive difference | CaO | Calcium monoxide | 0.208 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CaOH | Calcium monohydroxide | 1.976 | 0.094 |
CaO | Calcium monoxide | 1.822 | 0.208 |