New Triazaborine Chromophores: Their Synthesis via Oxazaborines and Electrochemical and DFT Study of Their Fundamental Properties

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F14%3A39897769" target="_blank" >RIV/00216275:25310/14:39897769 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61388955:_____/14:00437636

Výsledek na webu

<a href="http://dx.doi.org/10.1021/om500219g" target="_blank" >http://dx.doi.org/10.1021/om500219g</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/om500219g" target="_blank" >10.1021/om500219g</a>

Jazyk výsledku

angličtina

Název v původním jazyce

New Triazaborine Chromophores: Their Synthesis via Oxazaborines and Electrochemical and DFT Study of Their Fundamental Properties

Popis výsledku v původním jazyce

Eight new and stable triazaborine chromophores featuring various substituents as donor and acceptor moieties were prepared and investigated. Interpretation of the measured electrochemical data (CV, RDV, and dc-polarography), and UV/Vis spectra as well asthe quantum chemical calculations was presented. In the homologous series the first reduction proceeds as a one-electron reversible process localized at the -N=C-C=N- part of the central heterocycle being in conjugation with the attached carbonyl. The first oxidation of triazaborines proceeds as a two-electron irreversible process, most probably of the ECE type, localized at the negatively charged boron atom and surrounding unsaturated structures including the substituted phenyl ring. For better understanding of the relationship between the structure and redox properties, the LFER approach was applied for the first oxidation as well as reduction potential using the Hammett' sigma (para) substituent constants. The energies of the longes

Název v anglickém jazyce

New Triazaborine Chromophores: Their Synthesis via Oxazaborines and Electrochemical and DFT Study of Their Fundamental Properties

Popis výsledku anglicky

Eight new and stable triazaborine chromophores featuring various substituents as donor and acceptor moieties were prepared and investigated. Interpretation of the measured electrochemical data (CV, RDV, and dc-polarography), and UV/Vis spectra as well asthe quantum chemical calculations was presented. In the homologous series the first reduction proceeds as a one-electron reversible process localized at the -N=C-C=N- part of the central heterocycle being in conjugation with the attached carbonyl. The first oxidation of triazaborines proceeds as a two-electron irreversible process, most probably of the ECE type, localized at the negatively charged boron atom and surrounding unsaturated structures including the substituted phenyl ring. For better understanding of the relationship between the structure and redox properties, the LFER approach was applied for the first oxidation as well as reduction potential using the Hammett' sigma (para) substituent constants. The energies of the longes

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CC - Organická chemie

OECD FORD obor

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Projekt

<a href="/cs/project/EE2.3.30.0021" target="_blank" >EE2.3.30.0021: Posílení excelentních týmů výzkumu a vývoje na Univerzitě Pardubice</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2014

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Organometallics

ISSN

0276-7333

e-ISSN

—

Svazek periodika

33

Číslo periodika v rámci svazku

18

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

9

Strana od-do

4931-4939

Kód UT WoS článku

000342180800040

EID výsledku v databázi Scopus

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