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18 10 26 16 45

wB97X-D/aug-cc-pVTZ for rSS

Histogram of Bond length differences (in Å) vs number of species


Differences greater than 0.140 are in the 0.140 bin. Differences less than -0.100 are in the -0.100 bin.

histogram chart 10
histogram chart 8
histogram chart 6 histogram chart
histogram chart 4 histogram chart
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart
-0.100 -0.080 -0.060 -0.040 -0.020 0.000 0.020 0.040 0.060 0.080 0.100 0.120 0.140
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference S4 Sulfur tetramer-0.088
Most positive difference FSSF Difluorodisulfane0.050

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
S4 Sulfur tetramer 2.155 -0.088
S8 Octasulfur 2.059 -0.088
S3 Sulfur trimer 1.917 -0.007
SSO Disulfur monoxide 1.884 0.002
S2 Sulfur diatomic 1.889 0.004
S2+ sulfur diatomic cation 1.825 0.006
H2S2 Disulfane 2.056 0.007
HSSSH trisulfane 2.054 0.009
S4 Sulfur tetramer 1.898 0.010
CH3SSCH3 Disulfide, dimethyl 2.038 0.012
ClSSCl Disulfur dichloride 1.931 0.017
CH3SSH Hydrogen methyl disulfide 2.038 0.021
ClS2 Sulfur chloride 1.906 0.026
FSSF Difluorodisulfane 1.890 0.050