Alkali Metal Cation versus Proton and Methyl Cation Affinities: Structure and Bonding Mechanism

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Boughlala, Zakaria; Fonseca Guerra, Célia; Bickelhaupt, F. Matthias;

Abstract We have analyzed the structure and bonding of gas‐phase Cl−X and [HCl−X]+ complexes for X+= H+, CH3 +, Li+, and Na+, using relativistic density functional theory (DFT). We wish to establish a quantitative trend in affinities of the anionic and neutral Lewis bas... View more
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