Novel Br⋅⋅⋅π(Chelate) Interaction in a 1D Coordination Polymer Revealing Aromaticity

Basudeb Dutta; Saied Md Pratik; Srikanta Jana; Chittaranjan Sinha; Ayan Datta; Mohammad Hedayetullah Mir

doi:10.1002/slct.201800738

Novel Br⋅⋅⋅π(Chelate) Interaction in a 1D Coordination Polymer Revealing Aromaticity

Basudeb Dutta, Saied Md Pratik, Srikanta Jana, Chittaranjan Sinha, Ayan Datta, Mohammad Hedayetullah Mir

Chemistry (Twin Cities)

Research output: Contribution to journal › Article › peer-review

20 Scopus citations

Abstract

A one-dimensional coordination polymer (1D CP) [Cu(nip)(4-brpy)₂] (1) containing 16-member metal-ligand chelate ring exhibits unprecedented Br⋅⋅⋅π(chelate) interaction. The nucleus-independent chemical shifts (NICS) calculation reveals that the chelate ring has aromaticity and strong interaction energy (-24.8 kcal/mol) which plays important role in molecular self-assembly in the crystal structure.

Original language	English (US)
Pages (from-to)	4289-4291
Number of pages	3
Journal	ChemistrySelect
Volume	3
Issue number	16
DOIs	https://doi.org/10.1002/slct.201800738
State	Published - Apr 30 2018

Bibliographical note

Publisher Copyright:
© 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim

Keywords

16-Member Chelate Ring
Br⋅⋅⋅π(Chelate) Interaction
Coordination Polymer
Copper

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title = "Novel Br⋅⋅⋅π(Chelate) Interaction in a 1D Coordination Polymer Revealing Aromaticity",

abstract = "A one-dimensional coordination polymer (1D CP) [Cu(nip)(4-brpy)2] (1) containing 16-member metal-ligand chelate ring exhibits unprecedented Br⋅⋅⋅π(chelate) interaction. The nucleus-independent chemical shifts (NICS) calculation reveals that the chelate ring has aromaticity and strong interaction energy (-24.8 kcal/mol) which plays important role in molecular self-assembly in the crystal structure.",

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AU - Jana, Srikanta

AU - Sinha, Chittaranjan

AU - Datta, Ayan

AU - Mir, Mohammad Hedayetullah

PY - 2018/4/30

Y1 - 2018/4/30

N2 - A one-dimensional coordination polymer (1D CP) [Cu(nip)(4-brpy)2] (1) containing 16-member metal-ligand chelate ring exhibits unprecedented Br⋅⋅⋅π(chelate) interaction. The nucleus-independent chemical shifts (NICS) calculation reveals that the chelate ring has aromaticity and strong interaction energy (-24.8 kcal/mol) which plays important role in molecular self-assembly in the crystal structure.

AB - A one-dimensional coordination polymer (1D CP) [Cu(nip)(4-brpy)2] (1) containing 16-member metal-ligand chelate ring exhibits unprecedented Br⋅⋅⋅π(chelate) interaction. The nucleus-independent chemical shifts (NICS) calculation reveals that the chelate ring has aromaticity and strong interaction energy (-24.8 kcal/mol) which plays important role in molecular self-assembly in the crystal structure.

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KW - Coordination Polymer

KW - Copper

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Novel Br⋅⋅⋅π(Chelate) Interaction in a 1D Coordination Polymer Revealing Aromaticity

Abstract

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