return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Calculated > Geometry > Calculated geometry > One type of bond

Compare Calculated Bonds for Si-Cl

17 01 10 14 40

B1B95/STO-3G

Histogram of Bond lengths (in Å) vs number of species


Values greater than 2.40 are in the 2.40 bin. Values less than 2.00 are in the 2.00 bin.

histogram chart 18 line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 16 line line line line line line line histogram chart line line line line line line line line line line line line line line line line line line line
histogram chart 14 line line line line line line line histogram chart line line line line line line line line line line line line line line line line line line line
histogram chart 12 line line line line line line line histogram chart line line line line line line line line line line line line line line line line line line line
histogram chart 10 line line line line line line line histogram chart line line line line line line line line line line line line line line line line line line line
histogram chart 8 line line line line line line line histogram chart line line line line line line line line line line line line line line line line line line line
histogram chart 6 line line line line line line line histogram chart line line line line line line line line line line line line line line line line line line line
histogram chart 4 line line line line line line line histogram chart line line line line line line line line line line line line line line line line line line line
histogram chart 2 line line line line histogram chart line line histogram chart line line line line line line line line line line line line line line line line line line line
histogram chart 0 line line line line histogram chart line line histogram chart line line line line line line line line line line line histogram chart line line line line line line line
2.00 2.05 2.10 2.15 2.20 2.25 2.30 2.35 2.40
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
2.093 0.056

  Species Name Bond Length (Å)
Lowest value SiCl+ silicon monochloride cation 2.028
Highest value SiCl- silicon monochloride anion 2.315

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
SiCl- silicon monochloride anion 2.315 1 2
SiCl Clorosilylidyne 2.119 1 2
SiCl+ silicon monochloride cation 2.028 1 2
HSiCl Chlorosilylene 2.122 1 2
SiH3Cl chlorosilane 2.094 1 2
SiCl2 Dichlorosilylene 2.122 1 2
    2.122 1 3
SiH2Cl2 dichlorosilane 2.088 1 4
    2.088 1 5
SiCl3+ trichlorosilyl cation 2.031 1 2
    2.031 1 3
    2.031 1 4
SiHCl3 Trichlorosilane 2.084 1 3
    2.084 1 4
    2.084 1 5
SiCl4 Silane, tetrachloro- 2.083 1 2
    2.083 1 3
    2.083 1 4
    2.083 1 5
SiCl3CH3 methyltrichlorosilane 2.088 1 3
    2.088 1 4
    2.088 1 5