title: Beryllium-Based Anion Sponges: Close Relatives of Proton Sponges.
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.
authors: Departamento de Química, Facultad de Ciencias, Universidad Autónoma de Madrid, Módulo 13, Campus de Excelencia UAM-CSIC, Cantoblanco, 28049, Madrid, Spain.
authors: Oriana
authors: O
authors: Brea
authors: Departamento de Química, Facultad de Ciencias, Universidad Autónoma de Madrid, Módulo 13, Campus de Excelencia UAM-CSIC, Cantoblanco, 28049, Madrid, Spain.
authors: Inés
authors: I
authors: Corral
authors: Departamento de Química, Facultad de Ciencias, Universidad Autónoma de Madrid, Módulo 13, Campus de Excelencia UAM-CSIC, Cantoblanco, 28049, Madrid, Spain.
authors: Otilia
authors: O
authors: Mó
authors: Departamento de Química, Facultad de Ciencias, Universidad Autónoma de Madrid, Módulo 13, Campus de Excelencia UAM-CSIC, Cantoblanco, 28049, Madrid, Spain.
authors: Manuel
authors: http://orcid.org/0000-0003-0854-585X
authors: M
authors: Yáñez
authors: Instituto de Química Médica, CSIC, C/ Juan de la Cierva, 3, 28006, Madrid, Spain.
authors: Ibon
authors: http://orcid.org/0000-0001-6876-6211
authors: I
authors: Alkorta
authors: Instituto de Química Médica, CSIC, C/ Juan de la Cierva, 3, 28006, Madrid, Spain.
authors: José
authors: J
authors: Elguero
keywords: ab initio calculations; anion affinities; anion sponges; beryllium; density functional calculations