Table 1.

The energetic parameters (in kJ/mol), the mean triel-carbon distance, R (in Å), and the ∑α parameter (in degrees), E_intBSSE and E_binBSSE are E_int and E_bin energies corrected for BSSE; the maximum electrostatic potential (EP) for ZH₃ and ZX₃ monomers is included.

Complex	EP	Eint	EintBSSE	Ebin	EbinBSSE	Edef	∑α	R
AlBr3-C2H2		−81.8	−68.9	−60.6	−47.4	21.2	351.4	2.482
AlBr3-C2H4	0.103	−94.3	−77.9	−71.1	−54.7	23.2	350.8	2.497
AlCl3-C2H2		−79.6	−73.2	−58.2	−51.9	21.3	351.9	2.479
AlCl3-C2H4	0.122	−89.5	−81.6	−66.3	−58.4	23.2	351.1	2.502
AlF3-C2H2		−84.7	−78.3	−66.9	−60.5	17.8	353.8	2.437
AlF3-C2H4	0.202	−91.6	−83.9	−72.6	−64.9	19.0	353.5	2.467
AlH3-C2H2		−50.2	−47.7	−43.3	−40.7	7.0	357.0	2.562
AlH3-C2H4	0.130	−58.1	−55.1	−50.5	−47.4	7.7	356.7	2.552
BBr3-C2H2		−18.6	−11.0	−18.4	−10.8	0.2	359.9	3.325
BBr3-C2H4	0.034	−22.8	−12.2	−22.5	−11.9	0.3	359.9	3.288
BCl3-C2H2		−14.2	−11.3	−14.0	−11.0	0.3	359.9	3.312
BCl3-C2H4	0.043	−16.5	−12.6	−16.1	−12.3	0.3	359.9	3.297
BF3-C2H2		−16.4	−12.9	−15.4	−12.0	0.9	359.9	2.994
BF3-C2H4	0.090	−18.2	−14.0	−17.0	−12.7	1.3	359.7	2.990
BH3-C2H2	0.070	−74.2	−69.2	−36.2	−31.2	38.0	348.4	2.014