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Amine-tetrachloromethane charge transfer complexes: a structural and computational study

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Amine-tetrachloromethane charge-transfer complexes have recently been shown to be useful intermediates in transition-metal free solar light-assisted organic synthetic chemistry. Of particular promise is the complex of 1,4-diazabicyclo[2.2.2]octane (DABCO) which may serve as a starting point for several potential reactions involving oxidation of organic compounds. Here we disclose the crystal structure of the [DABCO•••CCl4] complex, and computational studies of two possible complex structures in their ground state, as well as in their first singlet and first triplet excited states.
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Keywords: Amines; charge-transfer complexes; light-induced processes; organic synthesis; tetrachloromethane

Document Type: Research Article

Affiliations: 1: Schulich Faculty of Chemistry, Technion – Israel Institute of Technology, Haifa, Israel; 2: Department of Chemical Sciences, Ariel University, Ariel, Israel

Publication date: July 3, 2018

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