Titolo:  Bis-selenoureas for anion binding: A 1h nmr and theoretical study
Data di pubblicazione:  2020
Data di prima pubblicazione on-line:  2020
Autori:  Picci, G.; Mocci, R.; Ciancaleoni, G.; Lippolis, V.; Zielinska-Blajet, M.; Caltagirone, C.
Numero degli autori:  6
Lingua:  Inglese
Presenza coautori internazionali: 
Volume:  85
Fascicolo:  7
Pagina iniziale:  1389
Pagina finale:  1395
Numero di pagine:  7
Digital Object Identifier (DOI):  http://dx.doi.org/10.1002/cplu.202000260
Codice identificativo Pubmed:  32608173
Codice identificativo Scopus:  2-s2.0-85087416818
Codice identificativo ISI:  WOS:000555737600005
Abstract:  The anion binding ability of a family of bis-selenoureas L1-L3 obtained by the reaction of 1,3-bis(aminomethyl)-benzene and phenylisoselenocyanate, p-methoxyphenylisoselenocyanate and naphtylisoselenocyanate, for L1, L2, and L3, respectively, has been tested and compared to that of previously described bis-urea analogues. Results suggest that the introduction of selenium leads to an increase in the acidity of the urea NH hydrogen atoms, and therefore to a stronger affinity (more than three-fold higher) towards anion species, in particular dihydrogen phosphate, in DMSO-d6. Theoretical calculations allowed for the optimization of the adducts receptors corroborating the experimental results.
Parole chiave:  anion binding; chalcogens; density functional theory; selenoureas; supramolecular chemistry
Tipologia: 1.1 Articolo in rivista

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