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Compare Bonds

18 10 26 16 45

PBE1PBE/6-31G 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 4 histogram chart
histogram chart 2 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 S4 Sulfur tetramer0.144
Most positive difference S4 Sulfur tetramer0.384

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
S4 Sulfur tetramer 1.898 0.144
S2 Sulfur diatomic 1.889 0.150
S3 Sulfur trimer 1.917 0.164
HSSSH trisulfane 2.053 0.171
H2S2 Disulfane 2.056 0.175
SSO Disulfur monoxide 1.884 0.177
CH3SSH Hydrogen methyl disulfide 2.038 0.187
S4 Sulfur tetramer 2.155 0.384