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Synthesis, crystal structure and DFT calculations of a new Hg (II) metal-organic polymer
- 1.0469948 - FZÚ 2017 RIV NL eng J - Journal Article
Mirtamizdoust, B. - Roodsari, M.S. - Shaabani, B. - Dušek, Michal - Fejfarová, Karla
Synthesis, crystal structure and DFT calculations of a new Hg (II) metal-organic polymer.
Main Group Chemistry. Roč. 15, č. 3 (2016), s. 257-266. ISSN 1024-1221. E-ISSN 1745-1167
Grant - others:AV ČR(CZ) AP0701
Program: Akademická prémie - Praemium Academiae
Institutional support: RVO:68378271
Keywords : mercury (II) iodide * coordination polymer * square planar * tetrahedral geometry * density functional calculation
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 0.565, year: 2016
A new mercury (II) coordination polymer {2[Hg(L)I2](HgI2)}n (1) [L: (E)-N´-(1-(pyridine-3-yl)ethylidene) isonicotinohydrazide]was synthesized by the reaction of mercury(II) iodide with the ligand under thermal gradient conditions using the branch-tube method and fully characterized by infrared spectroscopy, 1H NMR, elemental analysis and
single crystal X-ray diffraction. The supramolecular features in these complexes are guided and controlled by weak directional intermolecular interactions. The chains interact with each other through π–π and CH-π stacking interactions creating a 3D
framework. The structure was optimized by Density Functional Theory Calculations (DFT).
Permanent Link: http://hdl.handle.net/11104/0267703
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