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Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.
Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar.
Afiliação
  • Jena R; Chemistry and Physics of Materials Unit (CPMU), School of Advanced Materials (SAMat) Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR) Jakkur Bangalore-560064 India tmaji@jncasr.ac.in.
  • Laha S; Chemistry and Physics of Materials Unit (CPMU), School of Advanced Materials (SAMat) Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR) Jakkur Bangalore-560064 India tmaji@jncasr.ac.in.
  • Dwarkanath N; Chemistry and Physics of Materials Unit (CPMU), School of Advanced Materials (SAMat) Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR) Jakkur Bangalore-560064 India tmaji@jncasr.ac.in.
  • Hazra A; Chemistry and Physics of Materials Unit (CPMU), School of Advanced Materials (SAMat) Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR) Jakkur Bangalore-560064 India tmaji@jncasr.ac.in.
  • Haldar R; Tata Institute of Fundamental Research Hyderabad Gopanpally Hyderabad 500046 Telangana India.
  • Balasubramanian S; Chemistry and Physics of Materials Unit (CPMU), School of Advanced Materials (SAMat) Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR) Jakkur Bangalore-560064 India tmaji@jncasr.ac.in.
  • Maji TK; Chemistry and Physics of Materials Unit (CPMU), School of Advanced Materials (SAMat) Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR) Jakkur Bangalore-560064 India tmaji@jncasr.ac.in.
Chem Sci ; 14(43): 12321-12330, 2023 Nov 08.
Article em En | MEDLINE | ID: mdl-37969590
ABSTRACT
Porous, supramolecular structures exhibit preferential encapsulation of guest molecules, primarily by means of differences in the order of (noncovalent) interactions. The encapsulation preferences can be for geometry (dimension and shape) and the chemical nature of the guest. While geometry-based sorting is relatively straightforward using advanced porous materials, designing a "chemical nature" specific host is not. To introduce "chemical specificity", the host must retain an accessible and complementary recognition site. In the case of a supramolecular, porous coordination polymer (PCP) [Zn(o-phen)(ndc)] (o-phen 1,10-phenanthroline, ndc 2,6-naphthalenedicarboxylate) host, equipped with an adaptable recognition pocket, we have discovered that the preferential encapsulation of a haloaromatic isomer is not only for dimension and shape, but also for the "chemical nature" of the guest. This selectivity, i.e., preference for the dimension, shape and chemical nature, is not guided by any complementary recognition site, which is commonly required for "chemical specificity". Insights from crystal structures and computational studies unveil that the differences in the different types of noncovalent host-guest interaction strengths, acting in a concerted fashion, yield the unique selectivity.

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article