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., Michael W. Lodewyk, Matthew R. Siebert, and Dean J. Tantillo. "Complex consequences: Substituent effects on metal⋯ arylmethylium interactions." Journal of Organometallic Chemistry 748 (2013): 68-74.
Journal of Organometallic Chemistry