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Hydrogen-bonding interactions in monomeric dimethylcuprates. A theoretical study

Dem’yanov, P. I. ; Polestshuk, P. M. ; Gschwind, R. M.



Abstract

The hydrogen-bonding interactions between dimethylcuprate anions of monomeric lithium dimethylcuprate solvates and C–H bonds of molecules which solvate lithium cation were studied. The NBO analysis and analysis of internuclear distances are used to reveal these interactions in B3LYP and MP2 calculated monomeric lithium dimethylcuprates (LDMCs), and in the published X-ray structures of monomeric ...

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