Beryllium‐Based Anion Sponges: Close Relatives of Proton Sponges |
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| Authors: | Oriana Brea Dr Inés Corral Prof?Dr Otilia Mó Prof?Dr Manuel Yáñez Prof?Dr Ibon Alkorta Prof?Dr José Elguero |
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| Institution: | 1. Departamento de Química, Facultad de Ciencias, Universidad Autónoma de Madrid, Madrid, Spain;2. Instituto de Química Médica, CSIC, Madrid, Spain |
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| Abstract: | Through the use of high‐level ab initio and density functional calculations it is shown that 1,8‐diBeX‐naphthalene (X=H, F, Cl, CN, CF3, C(CF3)3) derivatives behave as anion sponges, very much as 1,8‐bis(dimethylamino)naphthalene derivatives behave as proton sponges. The electron‐deficient nature of the BeX substituents, which favors strong charge transfer from the anion towards the former, results in anion affinities that are among the largest ones reported for single neutral molecules. |
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| Keywords: | ab initio calculations anion affinities anion sponges beryllium density functional calculations |
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