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. 2016 Dec 22;8(3):2413–2425. doi: 10.1039/c6sc04456e

Fig. 6. Correlation of the elimination barriers with the electron gains on the [Ti]/[Pd] moiety from the IM3/IM3b analogs to the TS3/TS3b analogs. [Ti] = TiCl2Py and [Pd] = Pd(CN t Bu)2. For example, in the case of IM3 elimination, the electron gain ΔQ e = –[Q NBO([Ti] at TS3) – Q NBO([Ti] at IM3)].

Fig. 6