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

wB97X-D/cc-pVDZ for rSiH

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
histogram chart 2 histogram chart histogram chart histogram chart histogram chart
histogram chart 0 histogram chart 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 SiHCl3 Trichlorosilane0.002
Most positive difference SiH3 Silyl radical0.028

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
SiHCl3 Trichlorosilane 1.464 0.002
SiH2Cl2 dichlorosilane 1.480 0.003
CH3SiH3 methyl silane 1.483 0.004
SiH3+ Silyl cation 1.460 0.006
SiH3Br bromosilane 1.481 0.008
SiH2(CH3)2 dimethylsilane 1.482 0.008
SiH2 silicon dihydride 1.514 0.009
HSiCl Chlorosilylene 1.525 0.011
SiH3F monofluorosilane 1.476 0.014
SiH4 Silane 1.480 0.014
SiH3Cl chlorosilane 1.475 0.014
Si2H6 disilane 1.470 0.016
HSiBr monobromosilylene 1.518 0.017
SiHF3 trifluorosilane 1.449 0.019
SiH2F2 difluorosilane 1.462 0.020
SiH Silylidyne 1.520 0.020
SiH+ silicon monohydride cation 1.504 0.022
Si2H2 disilyne 1.668 0.023
SiH3 Silyl radical 1.468 0.028