Synthesis, crystal structure and DFT calculations of a new Hg (II) metal-organic polymer
Result 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).
Keywords
mercury (II) iodidecoordination polymersquare planartetrahedral geometrydensity functional calculation
The result's identifiers
Result code in IS VaVaI
Result on the web
DOI - Digital Object Identifier
Alternative languages
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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Classification
Type
Jx - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BM - Solid-state physics and magnetism
OECD FORD branch
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Result continuities
Project
—
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Main Group Chemistry
ISSN
1024-1221
e-ISSN
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Volume of the periodical
15
Issue of the periodical within the volume
3
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
10
Pages from-to
257-266
UT code for WoS article
000384301300007
EID of the result in the Scopus database
2-s2.0-84988328426
Basic information
Result type
Jx - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP
BM - Solid-state physics and magnetism
Year of implementation
2016