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18 10 26 16 45

CCSD/6-31G* for rSS

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


Differences greater than 0.080 are in the 0.080 bin. Differences less than -0.040 are in the -0.040 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4 histogram chart
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.040 -0.030 -0.020 -0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference S4 Sulfur tetramer-0.038
Most positive difference ClSSCl Disulfur dichloride0.068

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
S4 Sulfur tetramer 2.155 -0.038
S2+ sulfur diatomic cation 1.825 0.018
S3 Sulfur trimer 1.917 0.022
SSO Disulfur monoxide 1.884 0.023
HSSSH trisulfane 2.054 0.025
S2 Sulfur diatomic 1.889 0.026
H2S2 Disulfane 2.056 0.026
S4 Sulfur tetramer 1.898 0.031
ClS2 Sulfur chloride 1.906 0.034
CH3SSH Hydrogen methyl disulfide 2.038 0.037
FSSF Difluorodisulfane 1.890 0.055
ClSSCl Disulfur dichloride 1.931 0.068