IV.D.4. (XII.A.2.) |
Compare Bonds
18 10 19 16 31LSDA/3-21G for rSS
Histogram of Bond length differences (in Å) vs number of species
Differences greater than 0.220 are in the 0.220 bin. Differences less than -0.020 are in the -0.020 bin.
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8 | ||||||||||||||||||||||||||||||||||||||||
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2 | ||||||||||||||||||||||||||||||||||||||||
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 | S2+ | sulfur diatomic cation | 0.005 |
Most positive difference | SSO | Disulfur monoxide | 0.237 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
S2+ | sulfur diatomic cation | 1.825 | 0.005 |
FSSF | Difluorodisulfane | 1.890 | 0.006 |
S2 | Sulfur diatomic | 1.889 | 0.018 |
H2S2 | Disulfane | 2.056 | 0.116 |
ClS2 | Sulfur chloride | 1.906 | 0.165 |
ClSSCl | Disulfur dichloride | 1.931 | 0.177 |
S2 | Sulfur diatomic | 1.889 | 0.183 |
S8 | Octasulfur | 2.059 | 0.185 |
S3 | Sulfur trimer | 1.917 | 0.198 |
CH3SSCH3 | Disulfide, dimethyl | 2.038 | 0.201 |
H2S2 | Disulfane | 2.056 | 0.203 |
SSO | Disulfur monoxide | 1.884 | 0.237 |