Table 2.

Rate Constants and Free Energies of Activation for the Reactions of L₂CuNRR′ Complexes with 4-Iodotoluene and 4-Bromotoluene

entry	complex	L	NRR′	X in p-TolX	kobs (s−1)	ΔG‡(exp) (kcal/mol)	T (°C)	ΔG‡(calc) (kcal/mol)a	solvent
1	1a	phen	phth	iodide	5.4 × 10−4	29	120		DMSO
2	1b	dtbpy	phth	iodide	7.4 × 10−4	29	120		DMSO
3	1c	dmeda	phth	iodide	5.8 × 10−4	21	25		DMSO
4	1c	dmeda	phth	bromide	4.1 × 10−4	26	80		DMSO
5	2a	phen	pyrr	iodide	6.2 × 10−4	26	85		DMSO
6	2b	dmeda	pyrr	iodide	1.3 × 10−3	18	−20	25	toluene
7	2b	dmeda	pyrr	iodide	2.8 × 10−3	18	−20		1:1 DMF:tol
8	2b	dmeda	pyrr	bromide	1.6 × 10−4	29	120	38	toluene
9		eda	HNAc	bromide				29c	toluene (calc)
10		[Cu(phth)2]−		iodide	b	b	120	45	toluene (calc)
11		[Cu(pyrr)2]−		iodide				42	toluene (calc)
12		[Cu(HNAc)2]−		bromide				44c	toluene (calc)

^aComputed values for the reaction of respective three coordinate copper complex and phenyl iodide or bromide and incorporate solvent effects using the CPCM method.

^bNo reaction was observed when [Bu₄N][Cu(phth)₂] was heated to 120 °C for 24 h in DMSO solvent.

^cReference ²⁷.