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: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules

Compare Bonds

18 10 26 16 45

MP2/CEP-121G for rSiH

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


Differences greater than 0.110 are in the 0.110 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
histogram chart 2 histogram chart histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080 0.090 0.100 0.110
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference SiH2Cl2 dichlorosilane0.014
Most positive difference Si2H2 disilyne0.074

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
SiH2Cl2 dichlorosilane 1.480 0.014
SiH3Br bromosilane 1.481 0.021
SiH3F monofluorosilane 1.476 0.024
SiH3Cl chlorosilane 1.475 0.025
SiHF3 trifluorosilane 1.449 0.027
SiH2F2 difluorosilane 1.462 0.028
SiH4 Silane 1.480 0.028
CH3SiH3 methyl silane 1.483 0.028
SiHCl3 Trichlorosilane 1.464 0.028
SiH2(CH3)2 dimethylsilane 1.482 0.033
SiH3+ Silyl cation 1.460 0.036
HSiCl Chlorosilylene 1.525 0.038
SiH3 Silyl radical 1.468 0.041
Si2H6 disilane 1.470 0.042
HSiBr monobromosilylene 1.518 0.046
SiH+ silicon monohydride cation 1.504 0.055
SiH Silylidyne 1.520 0.056
Si2H2 disilyne 1.668 0.074