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 | ||||||||||||||||||||||||||||||||||||||||
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0 | ||||||||||||||||||||||||||||||||||||||||
-0.004 | -0.002 | 0.000 | 0.002 | 0.004 | 0.006 | 0.008 | 0.010 | 0.012 | 0.014 | 0.016 | 0.018 | 0.020 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | ClSSCl | Disulfur dichloride | -0.004 |
Most positive difference | SSO | Disulfur monoxide | 0.020 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
ClSSCl | Disulfur dichloride | 1.931 | -0.004 |
CH3SSCH3 | Disulfide, dimethyl | 2.038 | -0.003 |
ClS2 | Sulfur chloride | 1.906 | -0.002 |
S8 | Octasulfur | 2.059 | 0.001 |
H2S2 | Disulfane | 2.056 | 0.001 |
HSSSH | trisulfane | 2.054 | 0.002 |
S2+ | sulfur diatomic cation | 1.825 | 0.005 |
FSSF | Difluorodisulfane | 1.890 | 0.006 |
S3 | Sulfur trimer | 1.917 | 0.009 |
S2 | Sulfur diatomic | 1.889 | 0.016 |
SSO | Disulfur monoxide | 1.884 | 0.020 |