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18 10 26 16 45

MP2/CEP-31G for rSS

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


Differences greater than 0.550 are in the 0.550 bin. Differences less than -0.050 are in the -0.050 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
-0.050 0.000 0.050 0.100 0.150 0.200 0.250 0.300 0.350 0.400 0.450 0.500 0.550
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference S8 Octasulfur0.215
Most positive difference S2+ sulfur diatomic cation0.338

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
S8 Octasulfur 2.059 0.215
H2S2 Disulfane 2.056 0.217
HSSSH trisulfane 2.054 0.218
CH3SSCH3 Disulfide, dimethyl 2.038 0.222
CH3SSH Hydrogen methyl disulfide 2.038 0.230
S3 Sulfur trimer 1.917 0.233
S2 Sulfur diatomic 1.889 0.239
ClS2 Sulfur chloride 1.906 0.241
SSO Disulfur monoxide 1.884 0.248
ClSSCl Disulfur dichloride 1.931 0.268
FSSF Difluorodisulfane 1.890 0.272
S2+ sulfur diatomic cation 1.825 0.338