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Structure of (Me2Cu)Li • 3DME and its oligomers [(Me2Cu)Li • 3DME]n (n = 2-5): a theoretical study

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



Abstract

The structures of monomeric lithium dimethylcuprate solvated by three 1,2-dimethoxyethane (DME) molecules (Me2Cu)Li center dot 3DME and its oligomers [(Me2Cu)Li center dot 3DME](n) (n = 2-5) in the gas phase were studied using the density functional theory. The structures of these systems are compared with that of (Me2Cu)Li center dot 3DME in the crystal. It is shown that numerous C-H center dot ...

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