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Structural variety of aluminium and gallium coordination polymers based on bis-pyridylethylene: from molecular complexes to ionic networks

Gugin, Nikita Y. ; Virovets, Alexander ; Peresypkina, Eugenia ; Davydova, Elena I. ; Timoshkin, Alexey Y.



Abstract

A systematic structural study of the complexes formed by aluminium and gallium trihalides with 1,2-bis(4-pyridyl)ethylene (bpe) was performed. Quantum chemical computations revealed that the energy differences between the ionic and the molecular complexes expected in the MX3-bpe (M = Al, Ga; X = Cl, Br) system are very small. These computational findings indicate that this system is a rich source ...

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