Synthesis, electrochemical, structural and theoretical study of new derivatives of O-B-N and O-B-O heterocycles

Show simple item record Mikysek, Tomáš cze Kvapilová, Hana cze Doušová, Hana cze Josefík, František cze Šimůnek, Petr cze Růžičková, Zdeňka cze Ludvík, Jiří cze 2018-02-27T03:33:55Z 2018-02-27T03:33:55Z 2017 eng
dc.identifier.issn 0020-1693 eng
dc.description.abstract Three new oxazaborine and two boron diketonate derivatives containing different structural motifs were synthesized and studied using NMR, electrochemistry (CV, RDV, and dc-polarography), UV–Vis spectra and X-ray structure analysis. The experimental data were correlated with quantum chemical calculations. The main attention was focused on determination of the first oxidation and the first reduction potentials, their relationship to the calculated HOMO and LUMO energies and to their UV–Vis spectra. The electro- chemical data reflect the structure–redox properties relationship depending on location of oxidation and reduction center. eng
dc.format p. 465-472 eng
dc.language.iso eng eng
dc.relation.ispartof Inorganica Chimica Acta, volume 455, issue: 2017 eng
dc.rights Práce není přístupná eng
dc.subject boron heterocycles eng
dc.subject synthesis eng
dc.subject Electrochemistry eng
dc.subject HOMO-LUMO eng
dc.subject DFT calculations eng
dc.subject Syntéza cze
dc.subject heterocykly bóru cze
dc.subject elektrochemie cze
dc.subject HOMO-LUMO cze
dc.subject DFT kalkulace cze
dc.title Synthesis, electrochemical, structural and theoretical study of new derivatives of O-B-N and O-B-O heterocycles eng
dc.title.alternative Syntéza, elektrochemická, strukturní a teoretická studie nově syntetizovaných derivátů O-B-N a O-B-O heterocyklů cze
dc.type article eng
dc.description.abstract-translated Tento příspěvek se zabývá syntézou a charakterizací nově syntetizovaných heterocyklů. Získaná experimentální data byla korelována s kvantově-chemickými výpočty. cze
dc.peerreviewed yes eng
dc.publicationstatus published eng
dc.identifier.doi 10.1016/j.ica.2016.08.009
dc.identifier.wos 000390722500014
dc.identifier.scopus 2-s2.0-85027952434
dc.identifier.obd 39877686 eng

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