Table 1.

Computed and Experimental Electronic Transition Energies and Strengths of Mes*- P=P-Mes* and Dmp-P=P-Dmp.^a

Mes*-P=P-Mes*					Dmp-P=P-Dmp
	Calc.b		Exptc		Calc.b		Expt.c
	λ	f	λ	ε	λ	f	λ	ε
n+→π*	488	0.0345	460	1360	447	0.0006	456	365
π→π*	346	0.0630	340	7690	347	0.177	372	6190

^aλ in nanometers; f in atomic units; ε in M⁻¹cm⁻¹.

^bB3LYP/6–31+G(d,p) single point calculations of Ph-P=P-Ph core of the crystal structures, as described in the text.

^cMes*-P=P-Mes* in CH₂Cl₂; Dmp-P=P-Dmp in heptane.