Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.050 | -0.040 | -0.030 | -0.020 | -0.010 | 0.000 | 0.010 | 0.020 | 0.030 | 0.040 | 0.050 | 0.060 | 0.070 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | S2+ | sulfur diatomic cation | -0.044 |
Most positive difference | FSSF | Difluorodisulfane | 0.046 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
S2+ | sulfur diatomic cation | 1.825 | -0.044 |
S2 | Sulfur diatomic | 1.889 | -0.018 |
HSSSH | trisulfane | 2.054 | 0.007 |
H2S2 | Disulfane | 2.056 | 0.007 |
FSSF | Difluorodisulfane | 1.890 | 0.046 |