Synthesis, characterization and self assembly of dinuclear zinc Schiff base complexes: A combined experimental and theoretical study

被引：5

作者：

Basak, Tanmoy ^{[1
]}

Roy, Sourav ^{[1
,2
]}

Banerjee, Snehasis ^{[3
]}

Gomila, Rosa M. ^{[4
]}

Frontera, Antonio ^{[4
]}

Chattopadhyay, Shouvik ^{[1
]}

机构：

[1] Jadavpur Univ, Dept Chem, Inorgan Sect, Kolkata 700032, India

[2] Indian Inst Sci, Solid State & Struct Chem Unit, Bangalore 560012, India

[3] Govt Coll Engn & Leather Technol, Salt Lake Sect 3, Block LB, Kolkata 700106, India

[4] Univ Illes Baleares, Dept Chem, Crta Valldemossa Km 7-5, Palma De Mallorca 07122, Baleares, Spain

来源：

POLYHEDRON | 2022年 / 225卷

关键词：

CENTER-DOT-PI; EXPLORING INTERMOLECULAR INTERACTIONS; SOLID-STATE STRUCTURES; SUPRAMOLECULAR ARCHITECTURE; NONCOVALENT INTERACTIONS; BONDING INTERACTIONS; MOLECULAR-STRUCTURE; CRYSTAL-STRUCTURES; MODEL ENERGIES; CHELATE;

D O I：

10.1016/j.poly.2022.116044

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Two new dinuclear zinc(II) complexes, [(DMSO)Zn(L-1)Zn(NCS)(2)] (1) and [ClZn(L-2)ZnCl(H2O)].2CH(3)OH (2), using two different Schiff base ligands, {H2L1 = 2,2'- [(2,2-Dimethyl-1,3-propanediyl)bis(nitrilomethylidyne)]bis[4-bromo-6-methoxyphenol] and H2L2 = 2,2'-[(2,2-Dimethyl-1,3-propanediyl)bis(nitrilomethylidyne)]bis[6-ethoxyphenol]}, have been synthesized and characterized by different spectroscopic techniques. The structure guiding non-covalent interactions observed in the solid-state structure of both complexes have been analyzed using DFT calculations, MEP surface analysis, and QTAIM/NCIplot computational tools. The differences in the crystal packing and non-covalent interactions have also been studied using hirshfeld surface analyses and energy frameworks.

引用

页数：10

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