TABLE 3.

Molecule Stabilization Enthalpies of the fluorophosphine-type (MSE_PF) and chlorophosphine-type (MSE_PCl) reactants, Radical Stabilization Enthalpies of the phosphorus-centered radicals (RSE) (at 298 K in kJ mol⁻¹), as well as equilibrium bond distances of the P–F (r _P–F) and P–Cl (r _P–Cl) bonds in the reactant halophosphines (in Å).

R1	R2	MSEPF	MSEPCl	RSE	r P–F	r P–Cl
SiH3	SiH3	−22.9	−1.1	−4.8	1.643	2.115
SiH3	H	−12.4	−1.2	−2.4	1.631	2.102
BH2	H	−5.1	−3.4	10.1	1.616	2.079
H	H	0.0	0.0	0.0	1.619	2.088
BH2	BH2	1.6	0.7	20.1	1.599	2.048
CN	H	3.9	−2.7	−13.2	1.603	2.073
CN	CN	8.3	−3.5	−25.3	1.591	2.061
CHO	H	9.1	9.4	−4.4	1.617	2.081
CH3	SiH3	10.7	18.4	−7.0	1.637	2.109
PH2	H	14.3	12.9	−15.7	1.624	2.098
HC≡C	H	14.8	7.6	−22.8	1.615	2.093
PH2	PH2	21.0	21.8	−28.1	1.630	2.106
H2C=CH	H	22.1	18.1	−23.8	1.626	2.103
CH3	H	25.4	21.1	−5.3	1.625	2.097
NO2	H	26.1	13.8	−0.7	1.590	2.047
SH	H	34.6	21.6	−29.4	1.619	2.103
Cl	H	36.1	20.7	−20.8	1.604	2.077
SH	SH	43.1	20.6	−33.1	1.616	2.115
CH3	CH3	47.0	39.0	−9.2	1.631	2.106
CH3	Cl	55.9	36.1	−24.2	1.609	2.087
CN	NH2	57.5	31.1	−33.2	1.616	2.115
F	H	61.8	36.1	−15.1	1.598	2.072
Cl	Cl	64.4	33.5	−40.3	1.590	2.072
OH	H	65.0	43.5	−22.2	1.613	2.104
NH2	H	65.3	46.9	−27.0	1.635	2.137
NH2	Cl	68.5	35.8	−19.0	1.602	2.122
CH3	F	81.5	51.5	−19.6	1.605	2.086
NH2	NH2	82.2	51.5	−20.5	1.629	2.150
OH	OH	107.6	65.1	−21.4	1.614	2.133
F	F	118.1	65.3	−28.8	1.581	2.068