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. 2015 Jun 19;20(6):11297–11316. doi: 10.3390/molecules200611297

Table 2.

The characteristics of the bond critical point (in au) corresponding to the bond path linking the Z-center with the π-electron system; the electron density at BCP, ρBCP, its laplacian, ∇2ρBCP, and the total electron energy density at BCP, HBCP.

Complex ρBCP 2ρBCP HBCP
AlBr3-C2H2 0.0276 0.0818 −0.0035
AlBr3-C2H4 0.0292 0.0725 −0.0049
AlCl3-C2H2 0.0272 0.0847 −0.0031
AlCl3-C2H4 0.0284 0.0735 −0.0044
AlF3-C2H2 0.0275 0.1036 −0.0017
AlF3-C2H4 0.0283 0.0903 −0.0030
AlH3-C2H2 0.0212 0.0683 −0.0014
AlH3-C2H4 0.0234 0.0687 −0.0023
BBr3-C2H2 0.0068 0.0191 0.0008
BBr3-C2H4 0.0073 0.0195 0.0007
BCl3-C2H2 0.0064 0.0183 0.0007
BCl3-C2H4 0.0070 0.0182 0.0007
BF3-C2H2 0.0092 0.0273 0.0010
BF3-C2H4 0.0101 0.0264 0.0008
BH3-C2H2 0.0620 0.0325 −0.0392