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

被引：20

作者：

Dutta, Basudeb ^{[1
]}

Pratik, Saied Md ^{[2
]}

Jana, Srikanta ^{[3
]}

Sinha, Chittaranjan ^{[3
]}

Datta, Ayan ^{[2
]}

Mir, Mohammad Hedayetullah ^{[1
]}

机构：

[1] Aliah Univ, Dept Chem, Kolkata 700156, India

[2] Indian Assoc Cultivat Sci, Dept Spect, Kolkata 700032, India

[3] Jadavpur Univ, Dept Chem, Kolkata 700032, India

来源：

CHEMISTRYSELECT | 2018年 / 3卷 / 16期

关键词：

Br center dot center dot center dot pi(Chelate) Interaction; Coordination Polymer; Copper; 16-Member Chelate Ring; DOT-HALOGEN INTERACTIONS; CHEMICAL-SHIFTS NICS; STACKING INTERACTIONS; MAGNETIC-PROPERTIES; CRYSTAL-STRUCTURES; PI-INTERACTIONS; CHELATE; COMPLEXES; RINGS; ANION;

D O I：

10.1002/slct.201800738

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A one-dimensional coordination polymer (1D CP) [Cu(nip)(4-brpy)(2)] (1) containing 16-member metal-ligand chelate ring exhibits unprecedented Br center dot center dot center dot pi(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.

引用

页码：4289 / 4291

页数：3

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