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

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Abstract

The structures of monomeric lithium dimethylcuprate solvated by three 1,2-dimethoxyethane (DME) molecules (Me2Cu)Li · 3DME and its oligomers [(Me2Cu)Li · 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 · 3DME in the crystal. It is shown that numerous C-H…Cu and C-H…C hydrogen bonds, as well as C-H…H dihydrogen bonds between DME molecules, which solvate lithium cations, and corresponding dimethylcuprate anions significantly affect the formation and structure of these compounds in the gas and solid phases.

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Authors and Affiliations

  1. Department of Chemistry, M. V. Lomonosov Moscow State University, 1 Leninskie Gory, Bldg. 3, 119992, Moscow, Russian Federation

    P. I. Demyanov, P. M. Polestshuk & V. S. Petrosyan

  2. Institut für Organische Chemie, Universität Regensburg, Universitätsstr. 31, D-93053, Regensburg, Germany

    R. Gschwind

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  1. P. I. Demyanov
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  2. P. M. Polestshuk
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  3. V. S. Petrosyan
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  4. R. Gschwind
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Correspondence to P. I. Demyanov.

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Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 3, pp. 470–481, March, 2008.

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Demyanov, P.I., Polestshuk, P.M., Petrosyan, V.S. et al. Structure of (Me2Cu)Li · 3DME and its oligomers [(Me2Cu)Li · 3DME] n (n = 2–5): a theoretical study. Russ Chem Bull 57, 480–492 (2008). https://doi.org/10.1007/s11172-008-0075-y

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  • DOI: https://doi.org/10.1007/s11172-008-0075-y

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