Bis-selenoureas for anion binding: A 1h nmr and theoretical study

Picci G.
Primo
;
Mocci R.;Lippolis V.;Caltagirone C.
Ultimo
2020

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.
2020
Inglese
85
7
1389
1395
7
Esperti anonimi
internazionale
scientifica
anion binding; chalcogens; density functional theory; selenoureas; supramolecular chemistry
Picci, G.; Mocci, R.; Ciancaleoni, G.; Lippolis, V.; Zielinska-Blajet, M.; Caltagirone, C.
1.1 Articolo in rivista
info:eu-repo/semantics/article
1 Contributo su Rivista::1.1 Articolo in rivista
262
6
reserved
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