IV.D.4. (XII.A.2.) |
Compare Bonds
18 10 19 16 31TPSSh/aug-cc-pVQZ for rHS
Histogram of Bond length differences (in Å) vs number of species
Differences greater than 0.018 are in the 0.018 bin. Differences less than -0.006 are in the -0.006 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.006 | -0.004 | -0.002 | 0.000 | 0.002 | 0.004 | 0.006 | 0.008 | 0.010 | 0.012 | 0.014 | 0.016 | 0.018 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | NH2SH | Thiohydroxylamine | -0.005 |
Most positive difference | CH3SSH | Hydrogen methyl disulfide | 0.010 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
NH2SH | Thiohydroxylamine | 1.351 | -0.005 |
CH3SSH | Hydrogen methyl disulfide | 1.339 | 0.010 |