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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0 | ||||||||||||||||||||||||||||||||||||||||
-0.010 | -0.005 | 0.000 | 0.005 | 0.010 | 0.015 | 0.020 | 0.025 | 0.030 | 0.035 | 0.040 | 0.045 | 0.050 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | S8 | Octasulfur | -0.007 |
Most positive difference | FSSF | Difluorodisulfane | 0.045 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
S8 | Octasulfur | 2.059 | -0.007 |
HSSSH | trisulfane | 2.054 | 0.002 |
H2S2 | Disulfane | 2.056 | 0.002 |
CH3SSH | Hydrogen methyl disulfide | 2.038 | 0.011 |
S3 | Sulfur trimer | 1.917 | 0.014 |
S2 | Sulfur diatomic | 1.889 | 0.018 |
SSO | Disulfur monoxide | 1.884 | 0.022 |
S2+ | sulfur diatomic cation | 1.825 | 0.028 |
ClSSCl | Disulfur dichloride | 1.931 | 0.029 |
FSSF | Difluorodisulfane | 1.890 | 0.045 |