Cargando…

Tetranuclear Oxo-Titanium Clusters with Different Carboxylate Aromatic Ligands: Optical Properties, DFT Calculations, and Photoactivity

Titanium(IV) oxo-clusters of the general formula (Ti(4)O(2)(O(i)Bu)(10)(O(2)CR’)(2)) (R’ = C(13)H(9) (1), PhCl (2), PhNO(2) (3)) were studied in order to estimate their potential photoactivity. The structure of the resulting tetranuclear Ti(IV) oxo-complexes was then determined via single crystal X-...

Descripción completa

Detalles Bibliográficos
Autores principales: Janek, Maciej, Radtke, Aleksandra, Muzioł, Tadeusz M., Jerzykiewicz, Maria, Piszczek, Piotr
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6164694/
https://www.ncbi.nlm.nih.gov/pubmed/30205558
http://dx.doi.org/10.3390/ma11091661
_version_ 1783359661932544000
author Janek, Maciej
Radtke, Aleksandra
Muzioł, Tadeusz M.
Jerzykiewicz, Maria
Piszczek, Piotr
author_facet Janek, Maciej
Radtke, Aleksandra
Muzioł, Tadeusz M.
Jerzykiewicz, Maria
Piszczek, Piotr
author_sort Janek, Maciej
collection PubMed
description Titanium(IV) oxo-clusters of the general formula (Ti(4)O(2)(O(i)Bu)(10)(O(2)CR’)(2)) (R’ = C(13)H(9) (1), PhCl (2), PhNO(2) (3)) were studied in order to estimate their potential photoactivity. The structure of the resulting tetranuclear Ti(IV) oxo-complexes was then determined via single crystal X-ray diffraction, infrared and Raman spectroscopy, and electron spin resonance (ESR). An analysis of diffuse reflectance spectra (DRS) allowed for the assessment of band gap values of (1)–(3) microcrystalline samples complexes. The use of different carboxylate ligands allowed the band gap of tetranuclear Ti(IV) oxo-clusters to be modulated in the range of 3.6 eV–2.5 eV. Density functional theory (DFT) methods were used to explain the influence of substitutes on band gap and optical activity. Dispersion of (1)–(3) microcrystals in the poly(methyl methacrylate) (PMMA) matrixes enabled the formation of composite materials for which the potential photocatalytic activity was estimated through the study on methylene blue (MB) photodegradation processes in the presence of UV light. The results obtained revealed a significant influence of carboxylate ligands functionalization on the photoactivity of synthesized tetranuclear Ti(IV) oxo-complexes.
format Online
Article
Text
id pubmed-6164694
institution National Center for Biotechnology Information
language English
publishDate 2018
publisher MDPI
record_format MEDLINE/PubMed
spelling pubmed-61646942018-10-12 Tetranuclear Oxo-Titanium Clusters with Different Carboxylate Aromatic Ligands: Optical Properties, DFT Calculations, and Photoactivity Janek, Maciej Radtke, Aleksandra Muzioł, Tadeusz M. Jerzykiewicz, Maria Piszczek, Piotr Materials (Basel) Article Titanium(IV) oxo-clusters of the general formula (Ti(4)O(2)(O(i)Bu)(10)(O(2)CR’)(2)) (R’ = C(13)H(9) (1), PhCl (2), PhNO(2) (3)) were studied in order to estimate their potential photoactivity. The structure of the resulting tetranuclear Ti(IV) oxo-complexes was then determined via single crystal X-ray diffraction, infrared and Raman spectroscopy, and electron spin resonance (ESR). An analysis of diffuse reflectance spectra (DRS) allowed for the assessment of band gap values of (1)–(3) microcrystalline samples complexes. The use of different carboxylate ligands allowed the band gap of tetranuclear Ti(IV) oxo-clusters to be modulated in the range of 3.6 eV–2.5 eV. Density functional theory (DFT) methods were used to explain the influence of substitutes on band gap and optical activity. Dispersion of (1)–(3) microcrystals in the poly(methyl methacrylate) (PMMA) matrixes enabled the formation of composite materials for which the potential photocatalytic activity was estimated through the study on methylene blue (MB) photodegradation processes in the presence of UV light. The results obtained revealed a significant influence of carboxylate ligands functionalization on the photoactivity of synthesized tetranuclear Ti(IV) oxo-complexes. MDPI 2018-09-08 /pmc/articles/PMC6164694/ /pubmed/30205558 http://dx.doi.org/10.3390/ma11091661 Text en © 2018 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Janek, Maciej
Radtke, Aleksandra
Muzioł, Tadeusz M.
Jerzykiewicz, Maria
Piszczek, Piotr
Tetranuclear Oxo-Titanium Clusters with Different Carboxylate Aromatic Ligands: Optical Properties, DFT Calculations, and Photoactivity
title Tetranuclear Oxo-Titanium Clusters with Different Carboxylate Aromatic Ligands: Optical Properties, DFT Calculations, and Photoactivity
title_full Tetranuclear Oxo-Titanium Clusters with Different Carboxylate Aromatic Ligands: Optical Properties, DFT Calculations, and Photoactivity
title_fullStr Tetranuclear Oxo-Titanium Clusters with Different Carboxylate Aromatic Ligands: Optical Properties, DFT Calculations, and Photoactivity
title_full_unstemmed Tetranuclear Oxo-Titanium Clusters with Different Carboxylate Aromatic Ligands: Optical Properties, DFT Calculations, and Photoactivity
title_short Tetranuclear Oxo-Titanium Clusters with Different Carboxylate Aromatic Ligands: Optical Properties, DFT Calculations, and Photoactivity
title_sort tetranuclear oxo-titanium clusters with different carboxylate aromatic ligands: optical properties, dft calculations, and photoactivity
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6164694/
https://www.ncbi.nlm.nih.gov/pubmed/30205558
http://dx.doi.org/10.3390/ma11091661
work_keys_str_mv AT janekmaciej tetranuclearoxotitaniumclusterswithdifferentcarboxylatearomaticligandsopticalpropertiesdftcalculationsandphotoactivity
AT radtkealeksandra tetranuclearoxotitaniumclusterswithdifferentcarboxylatearomaticligandsopticalpropertiesdftcalculationsandphotoactivity
AT muziołtadeuszm tetranuclearoxotitaniumclusterswithdifferentcarboxylatearomaticligandsopticalpropertiesdftcalculationsandphotoactivity
AT jerzykiewiczmaria tetranuclearoxotitaniumclusterswithdifferentcarboxylatearomaticligandsopticalpropertiesdftcalculationsandphotoactivity
AT piszczekpiotr tetranuclearoxotitaniumclusterswithdifferentcarboxylatearomaticligandsopticalpropertiesdftcalculationsandphotoactivity