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

Molecular stabilization energies (E_{stabilization}, in kcal mol⁻¹) of the X₃–C–H, F₃–C–X, F–T–F₃, and π-system (where X = F, Cl, Br and I, T = C, Si, Ge and Sn, and π-system = BNZ, TFB, and HFB) at H/σ-atom⋯/π-system⋯PoC distance of 2.5 Å in presence of ± 0.50 au PoCs.

H bond donor	E _stab.	X bond donor	E _stab.	T bond donor	E _stab.	π system	E _stab.
PoC value = −0.50 au
F₃–C–H	−7.97	F₃–C–F	−0.53	F–C–F₃	−5.88	BZN	3.87
Cl₃–C–H	−7.09	F₃–C–Cl	−8.24	F–Si–F₃	−12.31	TFB	−3.48
Br₃–C–H	−6.74	F₃–C–Br	−11.70	F–Ge–F₃	−14.52	HFB	−10.1
I₃–C–H	−6.47	F₃–C–I	−17.54	F–Sn–F₃	−21.06

PoC value = +0.50 au
F₃–C–H	6.36	F₃–C–F	−1.41	F–C–F₃	1.58	BZN	−12.29
Cl₃–C–H	4.62	F₃–C–Cl	2.78	F–Si–F₃	7.20	TFB	−4.65
Br₃–C–H	3.91	F₃–C–Br	4.29	F–Ge–F₃	9.19	HFB	2.12
I₃–C–H	3.06	F₃–C–I	6.64	F–Sn–F₃	15.19

Molecular stabilization energies (Estabilization, in kcal mol−1) of the X3–C–H, F3–C–X, F–T–F3, and π-system (where X = F, Cl, Br and I, T = C, Si, Ge and Sn, and π-system = BNZ, TFB, and HFB) at H/σ-atom⋯/π-system⋯PoC distance of 2.5 Å in presence of ± 0.50 au PoCs.