Dem’yanov, P. I. and Polestshuk, P. M. and Petrosyan, V. S. and Gschwind, R. M. (2008) Structure of (Me2Cu)Li • 3DME and its oligomers [(Me2Cu)Li • 3DME]n (n = 2-5): a theoretical study. Russian Chemical Bulletin 57 (3), pp. 480-492.
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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.
|Institutions:||Chemistry and Pharmacy > Institut für Organische Chemie > Arbeitskreis Prof. Dr. Ruth Gschwind|
|Subjects:||500 Science > 540 Chemistry & allied sciences|
|Refereed:||Yes, this version has been refereed|
|Created at the University of Regensburg:||Partially|
|Deposited On:||10 Nov 2009 18:16|
|Last Modified:||10 Nov 2009 18:16|
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