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
收藏
页码：4289 / 4291
页数：3
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