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 | ||||||||||||||||||||||||||||||||||||||||
-0.020 | 0.000 | 0.020 | 0.040 | 0.060 | 0.080 | 0.100 | 0.120 | 0.140 | 0.160 | 0.180 | 0.200 | 0.220 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | SOCl2 | thionyl chloride | 0.154 |
Most positive difference | H2SO4 | Sulfuric acid | 0.220 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
SOCl2 | thionyl chloride | 1.443 | 0.154 |
SO | Sulfur monoxide | 1.481 | 0.156 |
HOSH | hydrogen thioperoxide | 1.662 | 0.159 |
SO2Cl2 | Sulfuryl chloride | 1.443 | 0.164 |
SSO | Disulfur monoxide | 1.456 | 0.177 |
SOF4 | Sulfur tetrafluoride oxide | 1.409 | 0.178 |
SO2 | Sulfur dioxide | 1.432 | 0.179 |
H2SO4 | Sulfuric acid | 1.422 | 0.187 |
CH3SOCH3 | Dimethyl sulfoxide | 1.485 | 0.198 |
SO3 | Sulfur trioxide | 1.418 | 0.199 |
C2H6O2S | Dimethyl sulfone | 1.431 | 0.213 |
H2SO4 | Sulfuric acid | 1.574 | 0.220 |