Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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-0.110 | -0.100 | -0.090 | -0.080 | -0.070 | -0.060 | -0.050 | -0.040 | -0.030 | -0.020 | -0.010 | 0.000 | 0.010 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | S4 | Sulfur tetramer | -0.102 |
Most positive difference | CH3SSH | Hydrogen methyl disulfide | 0.017 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
S4 | Sulfur tetramer | 2.155 | -0.102 |
SSO | Disulfur monoxide | 1.884 | -0.001 |
S2 | Sulfur diatomic | 1.889 | 0.004 |
H2S2 | Disulfane | 2.056 | 0.007 |
HSSSH | trisulfane | 2.054 | 0.007 |
S4 | Sulfur tetramer | 1.898 | 0.010 |
CH3SSH | Hydrogen methyl disulfide | 2.038 | 0.017 |