✍ Scribed by Eric Clot
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The development of NMR spectroscopic techniques such as the nuclear Overhauser effect (NOE) and pulsed gradient spin echo (PGSE) method to study ion‐pairing phenomena has increased the understanding of anion–cation interactions in organometallic chemistry and its influence on reactivity in homogeneous catalysis. These developments have greatly benefited from computational studies carried out in synergy with experimental observations. A good description of the preferred sites for anion interaction is obtained with charge analysis on the cation itself. However, depending on the nature of the anion, different geometries are likely to be observed, and only explicit calculations of the ion‐pair structures allow discrimination between the different possibilities. Such ion pairs may alter the relative energy of isomers and/or stabilize transition states associated to a given pathway, thus leading to anion control of the reactivity in some instances.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
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