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Compare Bonds

18 10 26 16 45

PBE1PBE/TZVP for rSS

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


Differences greater than 0.050 are in the 0.050 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 2 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart
-0.010 -0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045 0.050
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference S4 Sulfur tetramer-0.007
Most positive difference CH3SSH Hydrogen methyl disulfide0.033

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
S4 Sulfur tetramer 2.155 -0.007
S3 Sulfur trimer 1.917 0.017
S2 Sulfur diatomic 1.889 0.022
H2S2 Disulfane 2.056 0.022
S4 Sulfur tetramer 1.898 0.022
HSSSH trisulfane 2.053 0.024
SSO Disulfur monoxide 1.884 0.025
CH3SSH Hydrogen methyl disulfide 2.038 0.033