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Willem-Jan van Zeist, Ruud Visser and F. Matthias Bickelhaupt The Steric Nature of the Bite Angle Chemistry - A European Journal 15

Article first published online: 21 MAY 2009 | DOI: 10.1002/chem.200900367

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Twisted! We show, based on DFT analyses, that the well-known dependence of a catalyst's activity in bond activation on the ligand–metal–ligand angle, or bite angle, has a primarily steric origin, not an electronic one. Thus, by bending or twisting the catalyst a priori, one avoids unfavorable nonbonded interactions with the substrate (see figure).

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