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 | ||||||||||||||||||||||||||||||||||||||||
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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 | -0.043 |
Most positive difference | ClSSCl | Disulfur dichloride | 0.056 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
S2+ | sulfur diatomic cation | 1.825 | -0.043 |
SSO | Disulfur monoxide | 1.884 | -0.025 |
S2 | Sulfur diatomic | 1.889 | -0.021 |
S8 | Octasulfur | 2.059 | -0.008 |
HSSSH | trisulfane | 2.054 | 0.001 |
H2S2 | Disulfane | 2.056 | 0.002 |
CH3SSCH3 | Disulfide, dimethyl | 2.038 | 0.006 |
CH3SSH | Hydrogen methyl disulfide | 2.038 | 0.013 |
ClS2 | Sulfur chloride | 1.906 | 0.024 |
FSSF | Difluorodisulfane | 1.890 | 0.047 |
ClSSCl | Disulfur dichloride | 1.931 | 0.056 |