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18 10 26 16 45

TPSSh/STO-3G for rSiH

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


Differences greater than 0.020 are in the 0.020 bin. Differences less than -0.040 are in the -0.040 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 histogram chart
-0.040 -0.035 -0.030 -0.025 -0.020 -0.015 -0.010 -0.005 0.000 0.005 0.010 0.015 0.020
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference SiH4 Silane-0.040
Most positive difference Si2H2 disilyne0.008

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
SiH4 Silane 1.480 -0.040
SiH3Br bromosilane 1.481 -0.037
SiH2Cl2 dichlorosilane 1.480 -0.034
SiH3Cl chlorosilane 1.475 -0.032
HSiCl Chlorosilylene 1.525 -0.031
SiH3F monofluorosilane 1.476 -0.028
Si2H6 disilane 1.470 -0.028
HSiBr monobromosilylene 1.518 -0.022
SiH3 Silyl radical 1.468 -0.019
SiH Silylidyne 1.520 -0.018
SiH2F2 difluorosilane 1.462 -0.008
SiH3+ Silyl cation 1.460 -0.001
SiH+ silicon monohydride cation 1.504 0.002
SiHF3 trifluorosilane 1.449 0.006
Si2H2 disilyne 1.668 0.008