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

Funding Information:
This work was supported by SERB, India (Grant No. SB/FT/CS-185/ 2012, dated 30/07/2014). B. D. thanks the DST for INSPIRE fellowship.

Funding Information:
This work was supported by SERB, India (Grant No. SB/FT/CS-185/2012, dated 30/07/2014). B. D. thanks the DST for INSPIRE fellowship.

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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10.1002/slct.201800738

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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.",

keywords = "16-Member Chelate Ring, Br⋅⋅⋅π(Chelate) Interaction, Coordination Polymer, Copper",

author = "Basudeb Dutta and Pratik, {Saied Md} and Srikanta Jana and Chittaranjan Sinha and Ayan Datta and Mir, {Mohammad Hedayetullah}",

note = "Funding Information: This work was supported by SERB, India (Grant No. SB/FT/CS-185/ 2012, dated 30/07/2014). B. D. thanks the DST for INSPIRE fellowship. Funding Information: This work was supported by SERB, India (Grant No. SB/FT/CS-185/2012, dated 30/07/2014). B. D. thanks the DST for INSPIRE fellowship. Publisher Copyright: {\textcopyright} 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim",

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month = apr,

day = "30",

doi = "10.1002/slct.201800738",

language = "English (US)",

volume = "3",

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journal = "ChemistrySelect",

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T1 - Novel Br⋅⋅⋅π(Chelate) Interaction in a 1D Coordination Polymer Revealing Aromaticity

AU - Dutta, Basudeb

AU - Pratik, Saied Md

AU - Jana, Srikanta

AU - Sinha, Chittaranjan

AU - Datta, Ayan

AU - Mir, Mohammad Hedayetullah

N1 - Funding Information: This work was supported by SERB, India (Grant No. SB/FT/CS-185/ 2012, dated 30/07/2014). B. D. thanks the DST for INSPIRE fellowship. Funding Information: This work was supported by SERB, India (Grant No. SB/FT/CS-185/2012, dated 30/07/2014). B. D. thanks the DST for INSPIRE fellowship. Publisher Copyright: © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim

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.

KW - 16-Member Chelate Ring

KW - Br⋅⋅⋅π(Chelate) Interaction

KW - Coordination Polymer

KW - Copper

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DO - 10.1002/slct.201800738

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VL - 3

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JO - ChemistrySelect

JF - ChemistrySelect

IS - 16

ER -

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

Abstract

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