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Compare Bonds

18 10 26 16 45

PBEPBEultrafine/6-31+G** 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 0 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 tetramer0.033
Most positive difference S4 Sulfur tetramer0.318

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
S4 Sulfur tetramer 1.898 0.033
H2S2 Disulfane 2.056 0.041
S3 Sulfur trimer 1.917 0.045
HSSSH trisulfane 2.053 0.046
S2 Sulfur diatomic 1.889 0.047
CH3SSH Hydrogen methyl disulfide 2.038 0.050
SSO Disulfur monoxide 1.884 0.052
S4 Sulfur tetramer 2.155 0.318