IV.D.4. (XII.A.2.) |
Compare Bonds
18 10 19 16 31MP2=FULL/6-311+G(3df,2p) for rNS
Histogram of Bond length differences (in Å) vs number of species
Differences greater than 0.030 are in the 0.030 bin. Differences less than -0.030 are in the -0.030 bin.
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8 | ||||||||||||||||||||||||||||||||||||||||
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4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.030 | -0.025 | -0.020 | -0.015 | -0.010 | -0.005 | -0.000 | 0.005 | 0.010 | 0.015 | 0.020 | 0.025 | 0.030 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | NH2SH | Thiohydroxylamine | -0.027 |
Most positive difference | S2N2 | Disulfur dinitride | 0.017 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
NH2SH | Thiohydroxylamine | 1.719 | -0.027 |
FSN | Thiazyl fluoride | 1.448 | -0.019 |
NH2SH | Thiohydroxylamine | 1.705 | -0.013 |
NH2SH | Thiohydroxylamine | 1.719 | -0.012 |
NH2SH | Thiohydroxylamine | 1.705 | 0.002 |
S2N2 | Disulfur dinitride | 1.642 | 0.017 |