Anion receptors with 1,3,5‐triazacyclohexane and 1,4,7,10‐tetraazacyclododecane scaffolds

Fluoride, chloride, and bromide affinities of 1,3,5‐triazacyclohexane (TACH) and 1,4,7,10‐tetraazacyclododecane (Cyclen) were studied theoretically using ωB97XD and B3LYP functionals and 6‐311++G(d,p) basis set. To enhance and modify the anion affinities of TACH and Cyclen, several anion receptors w...

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Veröffentlicht in:	Journal of physical organic chemistry 2020-11, Vol.33 (11), p.n/a
Hauptverfasser:	Valadbeigi, Yaser, Ilbeigi, Vahideh, Valadbeigi, Younes
Format:	Artikel
Sprache:	eng
Schlagworte:	Affinity anion affinity anion receptor Anions Cyclen dispersion Fluorides Halides hydrogen bond Hydrogen bonds Ions Mathematical analysis Receptors Substitutes
Online-Zugang:	Volltext
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