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The acid strength of the HF/AlX3 Lewis-Brønsted complexes involving various electron acceptors as ligands

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Abstract The acid strength of the datively bound HF → AlX3 complexes (X H, F, N3, CH3, CH CH2, C CH, C6H5, CN, CF3, OF, SH, SF, NCO, NCS, OCF3, and OSF5)… Click to show full abstract

Abstract The acid strength of the datively bound HF → AlX3 complexes (X H, F, N3, CH3, CH CH2, C CH, C6H5, CN, CF3, OF, SH, SF, NCO, NCS, OCF3, and OSF5) is evaluated on the basis of theoretical calculations employing ab initio methods. It is demonstrated that the resulting acidity of HF → AlX3 depends strongly on the electron affinity of the X substituents as the effectiveness of the electron density withdrawal from the HF component towards the AlX3 component is related to the ability of the HF → AlX3 complex to donate a proton.

Keywords: strength alx3; alx3; acid strength; alx3 lewis; lewis nsted

Journal Title: Chemical Physics Letters
Year Published: 2019

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