Selectivity for La<sup>3+</sup>ion by synthesized 4-((5-methylfuran-2-yl)methylene)hydrazono)methyl)phenol receptor and its spectral analysis
Result description
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.
Keywords
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
Selectivity for La3+ion by synthesized 4-((5-methylfuran-2-yl)methylene)hydrazono)methyl)phenol receptor and its spectral analysis
Original language description
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.
Czech name
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Czech description
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Classification
Type
Jimp - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2018
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
ISSN
1386-1425
e-ISSN
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Volume of the periodical
204
Issue of the periodical within the volume
NOV 2018
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
9
Pages from-to
581-589
UT code for WoS article
000442063000073
EID of the result in the Scopus database
2-s2.0-85049338704
Basic information
Result type
Jimp - Article in a specialist periodical, which is included in the Web of Science database
OECD FORD
Physical chemistry
Year of implementation
2018