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. Author manuscript; available in PMC: 2013 Dec 5.
Published in final edited form as: J Am Chem Soc. 2012 Nov 27;134(48):19922–19934. doi: 10.1021/ja310351e

Table 7.

Equilibrium parameters for the rearrangement of various aryl-substituted complexes derived from 5 and 10.

graphic file with name nihms424873t8.jpg
a b R Yielda Keq ΔGexp (kcal/mol)
35a 35b N(CH3)2 77% 2.15 ± 0.04 −0.45 ± 0.01
31a 31b n-Bu 77% 2.26b 0.78 ± 0.01
36a 36b H 70% 0.11b 1.28 ± 0.01
37a 37b CN 67% -c -c
graphic file with name nihms424873t9.jpg
a b R Yielda Keq ΔGexp (kcal/mol)

38a 38b N(CH3)2 75% 1.08 ± 0.02 −0.05 ± 0.01
12a 12b n-Bu 76% 0.19b 0.97 ± 0.01
39a 39b H 76% 0.08b 1.47 ± 0.01
40a 40b CN 70% -c -c
a

Isolated yields; prepared in analogy to Table 2.

b

Estimated absolute error is less than 0.01.

c

Rearranged species not detected by 1H NMR.