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18 10 26 16 45

wB97X-D/TZVP 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 0 histogram chart 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 S8 Octasulfur-0.085
Most positive difference FSSF Difluorodisulfane0.063

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
S8 Octasulfur 2.059 -0.085
S4 Sulfur tetramer 2.155 -0.043
S2+ sulfur diatomic cation 1.825 0.012
S2 Sulfur diatomic 1.889 0.019
SSO Disulfur monoxide 1.884 0.019
HSSSH trisulfane 2.054 0.021
S4 Sulfur tetramer 1.898 0.024
CH3SSCH3 Disulfide, dimethyl 2.038 0.024
ClSSCl Disulfur dichloride 1.931 0.028
H2S2 Disulfane 2.056 0.029
ClS2 Sulfur chloride 1.906 0.038
CH3SSH Hydrogen methyl disulfide 2.038 0.041
FSSF Difluorodisulfane 1.890 0.063