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Compare Bonds

18 10 26 16 45

CCSD=FULL/cc-pVDZ for rSS

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


Differences greater than 0.055 are in the 0.055 bin. Differences less than -0.005 are in the -0.005 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045 0.050 0.055
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference S4 Sulfur tetramer0.005
Most positive difference CH3SSH Hydrogen methyl disulfide0.058

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
S4 Sulfur tetramer 2.155 0.005
S3 Sulfur trimer 1.917 0.035
S2 Sulfur diatomic 1.889 0.037
S4 Sulfur tetramer 1.898 0.040
SSO Disulfur monoxide 1.884 0.041
H2S2 Disulfane 2.056 0.047
HSSSH trisulfane 2.053 0.048
CH3SSH Hydrogen methyl disulfide 2.038 0.058