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18 10 26 16 45

B2PLYP=FULLultrafine/STO-3G for rSiH

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


Differences greater than 0.015 are in the 0.015 bin. Differences less than -0.045 are in the -0.045 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
-0.045 -0.040 -0.035 -0.030 -0.025 -0.020 -0.015 -0.010 -0.005 0.000 0.005 0.010 0.015
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference SiH4 Silane-0.042
Most positive difference Si2H2 disilyne0.006

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
SiH4 Silane 1.480 -0.042
SiH3Br bromosilane 1.481 -0.040
SiH2Cl2 dichlorosilane 1.480 -0.037
HSiCl Chlorosilylene 1.525 -0.037
SiH3Cl chlorosilane 1.475 -0.035
SiH3F monofluorosilane 1.476 -0.034
Si2H6 disilane 1.470 -0.030
HSiBr monobromosilylene 1.518 -0.029
SiH Silylidyne 1.520 -0.025
SiH3 Silyl radical 1.468 -0.024
SiH2F2 difluorosilane 1.462 -0.016
SiH+ silicon monohydride cation 1.504 -0.006
SiH3+ Silyl cation 1.460 -0.005
SiHF3 trifluorosilane 1.449 -0.003
Si2H2 disilyne 1.668 0.006