. 2019 Oct 15;9(56):32811–32820. doi: 10.1039/c9ra08007d

Binding energies calculated at MP2/aug-cc-pVDZ(PP) level of theory for I₃–Sn–H⋯, I₂H–Sn–I⋯ and H–Sn–I₃⋯π-system complexes at the most favorable H/σ-atom⋯π-system distance.

Noncovalent interaction	π-system	Bond donors	Distance^a (Å)	E _Binding (kcal mol⁻¹)
H/I/Sn⋯π-system	BZN	I₃–Sn–H	2.40	−5.01
		I₂H–Sn–I	3.60	−3.65
		H–Sn–I₃	4.80	−3.65
	TFB	I₃–Sn–H	2.50	−3.52
		I₂H–Sn–I	3.60	−3.06
		H–Sn–I₃	4.70	−4.01
	HFB	I₃–Sn–H	2.60	−2.55
		I₂H–Sn–I	3.60	−2.91
		H–Sn–I₃	4.60	−5.84

The most favorable at H/I/Sn⋯π-system distance based on the depicted curves in Fig. 7.

Binding energies calculated at MP2/aug-cc-pVDZ(PP) level of theory for I3–Sn–H⋯, I2H–Sn–I⋯ and H–Sn–I3⋯π-system complexes at the most favorable H/σ-atom⋯π-system distance.