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18 10 26 16 45

HSEh1PBE/cc-pVTZ for rSS

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


Differences greater than 0.060 are in the 0.060 bin. Differences less than -0.060 are in the -0.060 bin.

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

  Species Name Difference (Å)
Most negative difference S4 Sulfur tetramer-0.054
Most positive difference ClSSCl Disulfur dichloride0.021

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
S4 Sulfur tetramer 2.155 -0.054
S2+ sulfur diatomic cation 1.825 -0.005
S8 Octasulfur 2.059 0.001
S3 Sulfur trimer 1.917 0.001
H2S2 Disulfane 2.056 0.004
CH3SSCH3 Disulfide, dimethyl 2.038 0.004
HSSSH trisulfane 2.054 0.006
S2 Sulfur diatomic 1.889 0.008
S4 Sulfur tetramer 1.898 0.010
SSO Disulfur monoxide 1.884 0.011
CH3SSH Hydrogen methyl disulfide 2.038 0.014
FSSF Difluorodisulfane 1.890 0.017
ClSSCl Disulfur dichloride 1.931 0.021