http://www.cnr.it/ontology/cnr/individuo/prodotto/ID315773

Double Level Selection in a Constitutional Dynamic Library of Coordination Driven Supramolecular Polygons (Articolo in rivista)

Type

Prodotto della ricerca (Classe)
Articolo in rivista (Classe)

Label

Double Level Selection in a Constitutional Dynamic Library of Coordination Driven Supramolecular Polygons (Articolo in rivista) (literal)

Anno

2014-01-01T00:00:00+01:00 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi

10.1021/ic500573e (literal)

Alternative label

Rancan M.; Tessarolo J.; Casarin M.; Zanonato P. L.; Quici S.; Armelao L. (2014)
Double Level Selection in a Constitutional Dynamic Library of Coordination Driven Supramolecular Polygons
in Inorganic chemistry; ACS, American chemical society, Washington, DC (Stati Uniti d'America)
(literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

Rancan M.; Tessarolo J.; Casarin M.; Zanonato P. L.; Quici S.; Armelao L. (literal)

Pagina inizio

7276 (literal)

Pagina fine

7287 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#url

http://pubs.acs.org/doi/abs/10.1021/ic500573e (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

53 (literal)

Rivista

Inorganic chemistry (Rivista)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali

12 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo

14 (literal)

Note

ISI Web of Science (WOS) (literal)
Scopu (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

1-4,6 ; Department of Chemical Sciences, INSTM, University of Padova, via Marzolo 1, 35131 Padova, Italy / 6 : IENI-CNR, via Marzolo 1, 35131 Padova, Italy / 5 : ISTM-CNR, via C. Golgi, 19, 20133, Milano, Italy (literal)

Titolo

Double Level Selection in a Constitutional Dynamic Library of Coordination Driven Supramolecular Polygons (literal)

Abstract

A constitutional dynamic library (CDL) of Cu(II) metallo-suprarnolecular polygons has been studied as a bench test to examine an interesting selection case based on molecular recognition. Sorting of the CDL polygons is achieved through a proper guest that is hosted into the triangular metallo-macrocyde constituent. Two selection mechanisms are observed, a guest induced path and a guest templated self-assembly (virtual library approach). Remarkably, the triangular host can accommodate several guests with a degree of selectivity ranging from similar to 1 to similar to 10(4) for all possible guest pairs. A double level selection operates: guests drive the CDL toward the triangular polygon, and, at the same time, this is able to pick a specific guest from a set of competitive molecules, according to a selectivity-affinity correlation. Association constants of the host-guest systems have been determined. Guest competition and exchange studies have been analyzed through variable temperature UV-Vis absorption spectroscopy and single crystal X-ray diffraction studies. Molecular structures and electronic properties of the triangular polygon and of the host-guest systems also have been studied by means of all electrons density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations including dispersive contributions. DFT outcomes ultimately indicate the dispersive nature of the host-guest interactions, while TDDFT results allow a thorough assignment of the host and host-guests spectral features. (literal)

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