Multinuclear NMR Study of the Aggregates between Methyllithium and Lithium Bromide in Toluene

Autor:	Stéphanie Desjardins, Olivier Parisel, Hassan Oulyadi, Daniel Davoust, Jacques Maddaluno, Claude Giessner-Prettre, Karine Flinois
Rok vydání:	2003
Předmět:	Inorganic Chemistry chemistry.chemical_compound chemistry Lithium bromide Organic Chemistry Inorganic chemistry Physical chemistry Methyllithium Density functional theory Physical and Theoretical Chemistry Toluene
Zdroj:	Organometallics. 22:4090-4097
ISSN:	1520-6041 0276-7333
Popis:	A set of high-field, low-temperature NMR experiments has been conducted on various mixtures of Me 6 Li and 6 LiBr in toluene. All the 6 Li and 1 H signals of the (MeLi) n (LiBr) 4 - n aggregates were unambiguously assigned via one- and two- dimensional (HOESY and COSY) experiments. The influence of the MeLi/LiBr ratio on the concentration of these different aggregates in solution was then studied. The data suggest that the populations of the five possible complexes follow an almost purely statistical distribution with the exception of the MeLi(LiBr) 3 species. The later, which was found to be less abundant than expected, is also less favored on the basis of aggregation energies obtained from density functional theory calculations.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::e89cbcd346229d98a475c6c36d3c0496 https://doi.org/10.1021/om030205r Zobrazit plný text záznamu