Selectivity for La³⁺ion by synthesized 4-((5-methylfuran-2-yl)methylene)hydrazono)methyl)phenol receptor and its spectral analysis

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F18%3A00492316" target="_blank" >RIV/61388955:_____/18:00492316 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.saa.2018.06.084" target="_blank" >http://dx.doi.org/10.1016/j.saa.2018.06.084</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.saa.2018.06.084" target="_blank" >10.1016/j.saa.2018.06.084</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Selectivity for La³⁺ion by synthesized 4-((5-methylfuran-2-yl)methylene)hydrazono)methyl)phenol receptor and its spectral analysis

Popis výsledku v původním jazyce

The functionalized molecules with specific molecular sites appear to be a promising approach for detection of cation in UV–visible and fluorescence spectroscopy. The synthesized receptor 4-((5-methylfuran-2-yl)methylene)hydrazono)methyl)phenol MFMHMP was found selective for La3+among Ag+, K+, Na+, Be2+, Mg2+, Ca2+, Eu3+, Al3+, La3+, Zr4+, Th4+, UO22+, Fe3+, Fe2+, Co2+, Ni2+, Cu2+, Zn2+, Cd2+and Hg2+metal ions used as their nitrates by UV–visible spectroscopy and fluorescence spectroscopy. The binding nature of MFMHMP with La3+ion was analyzed by UV–visible, fluorescence, IR, mass spectroscopy and cyclic voltammetric studies. The stoichiometry was established to be 1:1 by Benesi-Hildebrand, mole-ratio method and method of continuous variation (Job's method) with good association affinity K = 6.245 × 104M−1. Computational studies and Density functional theory (DFT) calculation gives the proof of electron transfer during excitation and emission. Binding energy of complex through Density Function Theory −62.387 kcal/mol has also indication of strong binding. The electron transfer energy of Higher occupied molecular orbital (HOMO) to Lower unoccupied molecular orbital (LUMO) is about 4.662 eV for MFMHMP+La3+Complex. Among that all transitions HOMO → LUMO + 8 and HOMO → LUMO + 9 play a key role for the blue shift transition during complexation.

Název v anglickém jazyce

Selectivity for La³⁺ion by synthesized 4-((5-methylfuran-2-yl)methylene)hydrazono)methyl)phenol receptor and its spectral analysis

Popis výsledku anglicky

The functionalized molecules with specific molecular sites appear to be a promising approach for detection of cation in UV–visible and fluorescence spectroscopy. The synthesized receptor 4-((5-methylfuran-2-yl)methylene)hydrazono)methyl)phenol MFMHMP was found selective for La3+among Ag+, K+, Na+, Be2+, Mg2+, Ca2+, Eu3+, Al3+, La3+, Zr4+, Th4+, UO22+, Fe3+, Fe2+, Co2+, Ni2+, Cu2+, Zn2+, Cd2+and Hg2+metal ions used as their nitrates by UV–visible spectroscopy and fluorescence spectroscopy. The binding nature of MFMHMP with La3+ion was analyzed by UV–visible, fluorescence, IR, mass spectroscopy and cyclic voltammetric studies. The stoichiometry was established to be 1:1 by Benesi-Hildebrand, mole-ratio method and method of continuous variation (Job's method) with good association affinity K = 6.245 × 104M−1. Computational studies and Density functional theory (DFT) calculation gives the proof of electron transfer during excitation and emission. Binding energy of complex through Density Function Theory −62.387 kcal/mol has also indication of strong binding. The electron transfer energy of Higher occupied molecular orbital (HOMO) to Lower unoccupied molecular orbital (LUMO) is about 4.662 eV for MFMHMP+La3+Complex. Among that all transitions HOMO → LUMO + 8 and HOMO → LUMO + 9 play a key role for the blue shift transition during complexation.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

<a href="/cs/project/GA17-18108S" target="_blank" >GA17-18108S: Nové elektrochemicky aktivní thiacalix[4]areny a jejich oxidovaná analoga jako ligandy a receptory</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2018

Kód důvěrnosti údajů

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

Název periodika

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

ISSN

1386-1425

e-ISSN

—

Svazek periodika

204

Číslo periodika v rámci svazku

NOV 2018

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

9

Strana od-do

581-589

Kód UT WoS článku

000442063000073

EID výsledku v databázi Scopus

2-s2.0-85049338704