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Hydrogen-bonding interactions in monomeric dimethylcuprates. A theoretical study

Dem’yanov, P. I. and Polestshuk, P. M. and Gschwind, R. M. (2008) Hydrogen-bonding interactions in monomeric dimethylcuprates. A theoretical study. Journal of Molecular Structure THEOCHEM 861 (1-3), pp. 85-96.

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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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Item Type:Article
Date:2008
Institutions:Chemistry and Pharmacy > Institut für Organische Chemie > Arbeitskreis Prof. Dr. Ruth Gschwind
Identification Number:
ValueType
10.1016/j.theochem.2008.04.013 DOI
Keywords:Monomeric dimethylcuprates; Structure of; Hydrogen bondings in; Theoretical study
Subjects:500 Science > 540 Chemistry & allied sciences
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Partially
Owner: Nikola Kastner-Pustet
Deposited On:10 Nov 2009 16:05
Last Modified:10 Nov 2009 16:05
Item ID:10626
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