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18 10 26 16 45

QCISD(T)/6-31G* for rSS

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


Differences greater than 0.110 are in the 0.110 bin. Differences less than -0.010 are in the -0.010 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 histogram chart
-0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080 0.090 0.100 0.110
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference S8 Octasulfur0.027
Most positive difference S4 Sulfur tetramer0.118

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
S8 Octasulfur 2.059 0.027
H2S2 Disulfane 2.056 0.031
ClS2 Sulfur chloride 1.906 0.032
HSSSH trisulfane 2.054 0.032
S2+ sulfur diatomic cation 1.825 0.032
S2 Sulfur diatomic 1.889 0.036
S4 Sulfur tetramer 1.898 0.037
CH3SSH Hydrogen methyl disulfide 2.038 0.042
S3 Sulfur trimer 1.917 0.042
SSO Disulfur monoxide 1.884 0.044
FSSF Difluorodisulfane 1.890 0.051
ClSSCl Disulfur dichloride 1.931 0.064
S4 Sulfur tetramer 2.155 0.118