Table 2.

Bond Dissociation Energies of A-H and A-A

Entry	A–H		monomer BDEa (kcal/mol)	dimer BDEa,b (kcal/mol)
1		11	71.9	0.8
2		12	71.0	1.4
3		13	60.8	2.4
4		1a	65.1	5.3
5		8a	67.9	7.4
6		6f, R = OMe	68.1	8.7
7		6b, R = Me	69.0	10.0
8		6a, R = H	69.5	10.5
9		6l, R = CN	69.6	10.8
10		6k, R = CF3	69.8	11.4
11		4a	70.7	13.0
12		14	71.7	22.6
13		15	72.1	22.7
14		16	79.1	24.1
15		6u	74.7	26.3
16		17	81.9	27.9
17		8m	78.2	38.6

^aComputed at uB3LYP/6–31G*.

^bMeso diastereomer.