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=FULL/6-311+G(3df,2p) for rSiH

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


Differences greater than 0.010 are in the 0.010 bin. Differences less than -0.014 are in the -0.014 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.014 -0.012 -0.010 -0.008 -0.006 -0.004 -0.002 0.000 0.002 0.004 0.006 0.008 0.010
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference HSiCl Chlorosilylene-0.012
Most positive difference Si2H6 disilane0.006

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
HSiCl Chlorosilylene 1.525 -0.012
Si2H2 disilyne 1.668 -0.009
SiH3F monofluorosilane 1.476 -0.008
SiH4 Silane 1.480 -0.007
SiH3Cl chlorosilane 1.475 -0.007
HSiBr monobromosilylene 1.518 -0.006
SiH Silylidyne 1.520 -0.004
SiH3+ Silyl cation 1.460 -0.003
SiH2F2 difluorosilane 1.462 -0.002
SiHF3 trifluorosilane 1.449 -0.001
SiH3 Silyl radical 1.468 0.005
Si2H6 disilane 1.470 0.006