Table 11.

RXRR angle, Δ_HOMO-LUMO and character of the lone pair of Lewis bases.

system	angle (RXRR)a	ΔHOMO–LUMO [a.u.]	lone pair character
NH3	112.1°	0.3463	25.3% s 75.6% p
PH3	93.8°	0.3154	54.2% s 45.8% p
NMe3	124.8°	0.3027	15.9% s 84.1% p
PMe3	101.2°	0.2914	53.5% s 46.5% p
NPh3	179.2°	0.1756	0.0% s 100.0% p
PPh3	106.1°	0.1976	48.9% s 51.1% p

^aX = N or P; R = C or H.