Complex consequences: Substituent effects on metala⋯arylmethylium interactions
Metal complexation to aryl (Ph, Cp, cyclobutadienyl) methylium cations, radicals, and anions was investigated using hybrid density functional theory methods (B3LYP/LANL2DZ), with a focus on the effects of substituents. The results of these calculations, in which both geometric and energetic consequences of adding substituents were examined, indicate that metal-methylium interactions are most sensitive to substituent effects for complexed cations.
Arene, Chromium tricarbonyl, Cyclobutadiene, Ferrocene, Reactive intermediate, Substituent effects
Davis, Rebecca L.; Lodewyk, Michael W.; Siebert, Matthew R.; and Tantillo, Dean J., "Complex consequences: Substituent effects on metala⋯arylmethylium interactions" (2013). Articles by College of Natural and Applied Sciences Faculty. 2956.
Journal of Organometallic Chemistry