Synthesis, crystal structure and DFT calculations of a new Hg (II) metal-organic polymer

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F16%3A00469948" target="_blank" >RIV/68378271:_____/16:00469948 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.3233/MGC-160205" target="_blank" >http://dx.doi.org/10.3233/MGC-160205</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.3233/MGC-160205" target="_blank" >10.3233/MGC-160205</a>

Result language
angličtina
Original language name
Synthesis, crystal structure and DFT calculations of a new Hg (II) metal-organic polymer
Original language description
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 andnsingle 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 3Dnframework. The structure was optimized by Density Functional Theory Calculations (DFT).
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BM - Solid-state physics and magnetism
OECD FORD branch
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Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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