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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 8.

Experimental ΔG and calculated ΔE values for various 8•Pd(Ar)Br complexes.

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a b R σ ΔGexp (kcal/mol)a ΔE (kcal/mol)
18a 18b N(CH3)2 −0.83 (−2.4)b −2.28
19a 19b OCH3 −0.27 −1.73 ± 0.01 −1.35
11a 11b n-Bu −0.16 −1.26 ± 0.01 −0.43
20a 20b H 0.00 −0.85 ± 0.01 0.02
21a 21b Ph 0.01 −0.68 ± 0.01 0.40
22a 22b F 0.06 −0.75 ± 0.01 −0.03
23a 23b Cl 0.23 −0.23 ± 0.01 1.17
24a 24b CHO 0.42 0.83 ± 0.01 2.93
25a 25b CN 0.66 1.43 ± 0.01 2.46
a

In THF-d8.

b

Estimated using a first-order kinetic model.