IV.D.4. (XII.A.2.) |
Compare Bonds
18 10 19 16 31CISD/aug-cc-pV(T+d)Z for rSS
Histogram of Bond length differences (in Å) vs number of species
Differences greater than 0.006 are in the 0.006 bin. Differences less than -0.018 are in the -0.018 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.018 | -0.016 | -0.014 | -0.012 | -0.010 | -0.008 | -0.006 | -0.004 | -0.002 | 0.000 | 0.002 | 0.004 | 0.006 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | S2+ | sulfur diatomic cation | -0.018 |
Most positive difference | H2S2 | Disulfane | -0.000 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
S2+ | sulfur diatomic cation | 1.825 | -0.018 |
H2S2 | Disulfane | 2.056 | -0.000 |