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18 10 26 16 45

PBEPBE/cc-pVTZ 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 2 histogram chart histogram chart
histogram chart 0 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 H2S2 Disulfane0.016
Most positive difference S4 Sulfur tetramer0.078

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
H2S2 Disulfane 2.056 0.016
S2+ sulfur diatomic cation 1.825 0.022
CH3SSCH3 Disulfide, dimethyl 2.038 0.022
FSSF Difluorodisulfane 1.890 0.023
S4 Sulfur tetramer 1.898 0.025
HSSSH trisulfane 2.054 0.028
S3 Sulfur trimer 1.917 0.030
CH3SSH Hydrogen methyl disulfide 2.038 0.032
S2 Sulfur diatomic 1.889 0.033
SSO Disulfur monoxide 1.884 0.041
S4 Sulfur tetramer 2.155 0.078