UPA Perpustakaan Universitas Jember

Are beryllium-containing biphenyl derivatives efficient anion sponges?

Oriana Brea - Personal Name
Otilia Mó - Personal Name
Manuel Yáñez - Personal Name
M. Merced Montero-Campillo - Personal Name
Ibon Alkorta - Personal Name
José Elguero - Personal Name

The structures and stabilities of 2,2′-diBeX-1,1′-biphenyl (X = H, F, Cl, CN) derivatives and their affinities for F−, Cl−, and CN−
were theoretically investigated using a B3LYP/6–311 + G(3df,2p)//B3LYP/6–31 + G(d,p) model. The results obtained show that
the 2,2′-diBeX-1,1′-biphenyl derivatives (X = H, F, Cl, CN) exhibit very high F−, Cl−, and CN− affinities, albeit lower than those
reported before for their 1,8-diBeX-naphthalene analogs, in spite of the fact that the biphenyl derivatives are more flexible than
their naphthalene counterparts. Nevertheless, some of the biphenyl derivatives investigated are predicted to have anion affinities
larger than those measured for SbF5, which is considered one of the strongest anion capturers. Therefore, although weaker than
their naphthalene analogs, the 2,2′-diBeX-1,1′-biphenyl derivatives can still be considered powerful anion sponges. This study
supports the idea that compounds containing –BeX groups in chelating positions behave as anion sponges due to the electrondeficient nature and consequently high intrinsic Lewis acidity of these groups.

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Anion sponges
Be-containing biphenyl derivatives
Density functional theory

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Are beryllium-containing biphenyl derivatives efficient anion sponges?

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Are beryllium-containing biphenyl derivatives efficient anion sponges?

Oriana Brea - Personal NameOtilia Mó - Personal NameManuel Yáñez - Personal NameM. Merced Montero-Campillo - Personal NameIbon Alkorta - Personal NameJosé Elguero - Personal Name

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Statement of Responsibility

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Oriana Brea - Personal Name
Otilia Mó - Personal Name
Manuel Yáñez - Personal Name
M. Merced Montero-Campillo - Personal Name
Ibon Alkorta - Personal Name
José Elguero - Personal Name