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18 10 26 16 45

B3LYP/SDD for rSiH

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


Differences greater than 0.110 are in the 0.110 bin. Differences less than -0.010 are in the -0.010 bin.

histogram chart 10
histogram chart 8
histogram chart 6 histogram chart
histogram chart 4 histogram chart
histogram chart 2 histogram chart histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080 0.090 0.100 0.110
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference SiH2Cl2 dichlorosilane-0.002
Most positive difference Si2H2 disilyne0.072

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
SiH2Cl2 dichlorosilane 1.480 -0.002
SiH3Br bromosilane 1.481 0.003
SiHCl3 Trichlorosilane 1.464 0.010
SiH3Cl chlorosilane 1.475 0.010
SiH3F monofluorosilane 1.476 0.010
SiH4 Silane 1.480 0.011
CH3SiH3 methyl silane 1.483 0.013
SiHF3 trifluorosilane 1.449 0.014
SiH2F2 difluorosilane 1.462 0.015
SiH3+ Silyl cation 1.460 0.016
SiH2(CH3)2 dimethylsilane 1.482 0.018
Si2H6 disilane 1.470 0.023
HSiCl Chlorosilylene 1.525 0.024
SiH3 Silyl radical 1.468 0.026
HSiBr monobromosilylene 1.518 0.030
SiH+ silicon monohydride cation 1.504 0.033
SiH2 silicon dihydride 1.514 0.035
SiH Silylidyne 1.520 0.039
Si2H2 disilyne 1.668 0.072