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

QCISD/6-311G* for rSiH

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
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
-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 SiH2Cl2 dichlorosilane-0.007
Most positive difference Si2H6 disilane0.020

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
SiH2Cl2 dichlorosilane 1.480 -0.007
SiH3Br bromosilane 1.481 -0.000
HSiCl Chlorosilylene 1.525 0.002
SiHCl3 Trichlorosilane 1.464 0.002
SiH3Cl chlorosilane 1.475 0.005
SiH3F monofluorosilane 1.476 0.005
CH3SiH3 methyl silane 1.483 0.007
SiH4 Silane 1.480 0.007
HSiBr monobromosilylene 1.518 0.008
SiH+ silicon monohydride cation 1.504 0.009
SiHF3 trifluorosilane 1.449 0.010
SiH2F2 difluorosilane 1.462 0.011
SiH3+ Silyl cation 1.460 0.011
SiH2(CH3)2 dimethylsilane 1.482 0.011
SiH2 silicon dihydride 1.514 0.014
Si2H2 disilyne 1.668 0.015
SiH Silylidyne 1.520 0.016
SiH3 Silyl radical 1.468 0.020
Si2H6 disilane 1.470 0.020