Interactions between metal cations and the ionophore lasalocid. Part 14. Structure of lasalocid–alkali metal cation complex salts in methanol from NMR spectroscopy and computational experiments

Autor:	Patrice Malfreyt, Jean Juillard, Y. Pascal, Gérard Dauphin, Rachid Lyazghi
Rok vydání:	1996
Předmět:	Solvent chemistry.chemical_compound chemistry Inorganic chemistry Proton NMR Ionophore Solvation Methanol Nuclear magnetic resonance spectroscopy Alkali metal Lasalocid
Zdroj:	J. Chem. Soc., Perkin Trans. 2. :1971-1979
ISSN:	1364-5471 0300-9580
Popis:	13 C and 1H NMR spectra were obtained and totally assigned for all the alkali metal cation complex salts of lasalocid in methanol. Most of the corresponding 1H–1H coupling constants were also accessed. Computational experiments in the solvent methanol involving either Monte-Carlo statistical mechanics simulations or quantum semiempirical calculations in a continuum were also carried out. These data provided insight into the structure and solvation of these species in methanol.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::8a59bff82b1995526bff0a68d7e1d9a2 https://doi.org/10.1039/p29960001971 Zobrazit plný text záznamu