Reactivity of Pt- and Pd-bound nitriles towards nitrile oxides and nitrones: substitution vs.cycloaddition†
Abstract
Reactions of the nitrone CH3CHN(CH3)O and the
NO with the nitrile complexes trans-[MCl2(N
CCH3)2] (M = Pt, 1; Pd, 2) were investigated by theoretical methods at B3LYP and, for some processes, CCSD(T) levels of theory. The mechanisms of substitutions and cycloadditions were studied in detail. The former occur via a concerted asynchronous mechanism of dissociative type. The calculations of the metal–