Table 18.

Bond lengths (Å), dihedral angles (°) and energies (kcal/mol) in starting materials, complexes, transition structures and products

	imine	complexes				Transition States		Products
		12ac•MeLi + 11	A	B	C	TS-1	TS-2	S	R
rel. energies		0.0	−12.3	−11.2	−9.4	8.5	7.4	−36.8	−37.6
Li-Me		2.048	2.070	2.059	2.069	2.129	2.123	2.9	3.2
imine C-N	1.296		1.303	1.302	1.304	1.358	1.357	1.482	1.482
C-C-C=N		−6.9	−29.8	+1.2	−5.3	−20.3	+58.1	−23.1	−36.5
N=C-C-C		+13.2	+61.0	+35.9	+33.2	+46.6	−28.2	+43.3	+52.6
Li-Nimine			2.189	2.156	2.137	2.089	2.050	1.951	1.944
Me-Cimine			4.6	4.2	4.4	2.302	2.320	1.538	1.530