IV.D.4. (XII.A.2.) |
Compare Bonds
18 10 19 16 31B1B95/6-31+G** for rNS
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.
10 | ||||||||||||||||||||||||||||||||||||||||
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 | NH2SH | Thiohydroxylamine | -0.022 |
Most positive difference | NH2SH | Thiohydroxylamine | 0.012 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
NH2SH | Thiohydroxylamine | 1.719 | -0.022 |
NH2SH | Thiohydroxylamine | 1.705 | -0.008 |
NS+ | nitrogen sulfide cation | 1.440 | -0.007 |
NH2SH | Thiohydroxylamine | 1.719 | -0.002 |
FSN | Thiazyl fluoride | 1.448 | -0.001 |
S2N2 | Disulfur dinitride | 1.642 | 0.005 |
NS | Mononitrogen monosulfide | 1.497 | 0.006 |
NS | Mononitrogen monosulfide | 1.497 | 0.006 |
NH2SH | Thiohydroxylamine | 1.705 | 0.012 |