Publication detail

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

Year: 2017

Type of publication: článek v odborném periodiku

Name of source: Inorganica Chimica Acta

Page from-to: 465-472

Titles:

Language	Name	Abstract	Keywords
cze	Syntéza, elektrochemická, strukturní a teoretická studie nově syntetizovaných derivátů O-B-N a O-B-O heterocyklů	Tento příspěvek se zabývá syntézou a charakterizací nově syntetizovaných heterocyklů. Získaná experimentální data byla korelována s kvantově-chemickými výpočty.	Syntéza; heterocykly bóru; elektrochemie; HOMO-LUMO; DFT kalkulace
eng	Synthesis, electrochemical, structural and theoretical study of new derivatives of O-B-N and O-B-O heterocycles	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.	boron heterocycles; synthesis; Electrochemistry; HOMO-LUMO; DFT calculations

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