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

We have analyzed the structure and bonding of gas‐phase Cl−X and [HCl−X](+) complexes for X(+)= H(+), CH(3) (+), Li(+), and Na(+), using relativistic density functional theory (DFT). We wish to establish a quantitative trend in affinities of the anionic and neutral Lewis bases Cl(−) and HCl for the...

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Detalhes bibliográficos
Publicado no:ChemistryOpen
Main Authors: Boughlala, Zakaria, Fonseca Guerra, Célia, Bickelhaupt, F. Matthias
Formato: Artigo
Idioma:Inglês
Publicado em: John Wiley and Sons Inc. 2016
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4984409/
https://ncbi.nlm.nih.gov/pubmed/27551660
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/open.201500208
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