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

B2PLYP/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 2 histogram chart histogram chart histogram chart
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 SiH2Cl2 dichlorosilane-0.001
Most positive difference Si2H2 disilyne0.024

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
SiH2Cl2 dichlorosilane 1.480 -0.001
SiH3Br bromosilane 1.481 0.005
SiH3F monofluorosilane 1.476 0.010
HSiCl Chlorosilylene 1.525 0.010
SiH4 Silane 1.480 0.010
SiH3Cl chlorosilane 1.475 0.010
HSiBr monobromosilylene 1.518 0.015
SiHF3 trifluorosilane 1.449 0.016
SiH2F2 difluorosilane 1.462 0.016
SiH3+ Silyl cation 1.460 0.016
SiH Silylidyne 1.520 0.019
SiH+ silicon monohydride cation 1.504 0.020
Si2H6 disilane 1.470 0.023
SiH3 Silyl radical 1.468 0.024
Si2H2 disilyne 1.668 0.024