The attachment of squaric acid, a non-aromatic molecule, to the surface of TiO2 powder induced the optical absorption of the obtained hybrid material in the visible spectral range due to the interfacial charge transfer complex formation. The optical characterization of the hybrid is supported by the density functional theory calculations of the model cluster. The paramagnetic species generated upon excitation with ultraviolet or visible light, in both TiO2 powders, pristine and surface-modified, were identified conducting low-temperature solid-state and indirect electron paramagnetic resonance (EPR) spectroscopy experiments (spin trapping and spin scavenging). The solid-state EPR experiments indicated the promotion of electrons from the organic moiety to the titania conduction band under visible-light excitation of hybrid. Also, the spin scavenging experiments showed that the electrons generated in the hybrid upon the visible-light activation facilitate the reduction of the radical cat...ions present in the dispersion, while these effects are not observed for pristine TiO2.
Keywords:
Density functional theory / EPR spectroscopy / Interfacial charge transfer complex / Squaric acid / Titanium dioxide
Source:
Optical Materials, 2022, 123, 111918-
Funding / projects:
Multilateral Scientific and Technological Cooperation Projects in the Danube Region [No. 337-00-00322/2019-09/88]
Slovak Research and Development Agency [No. DS-FR-19-000]
Slovak Republic [VEGA Project 1/ 0064/21]
Texas A&M University at Qatar [NPRP11S-1126-170033]
TY - JOUR
AU - Barbieriková, Zuzana
AU - Šimunková, Miriama
AU - Brezová, Vlasta
AU - Sredojević, Dušan
AU - Lazić, Vesna M.
AU - Lončarević, Davor
AU - Nedeljković, Jovan
PY - 2022
UR - https://vinar.vin.bg.ac.rs/handle/123456789/10091
AB - The attachment of squaric acid, a non-aromatic molecule, to the surface of TiO2 powder induced the optical absorption of the obtained hybrid material in the visible spectral range due to the interfacial charge transfer complex formation. The optical characterization of the hybrid is supported by the density functional theory calculations of the model cluster. The paramagnetic species generated upon excitation with ultraviolet or visible light, in both TiO2 powders, pristine and surface-modified, were identified conducting low-temperature solid-state and indirect electron paramagnetic resonance (EPR) spectroscopy experiments (spin trapping and spin scavenging). The solid-state EPR experiments indicated the promotion of electrons from the organic moiety to the titania conduction band under visible-light excitation of hybrid. Also, the spin scavenging experiments showed that the electrons generated in the hybrid upon the visible-light activation facilitate the reduction of the radical cations present in the dispersion, while these effects are not observed for pristine TiO2.
T2 - Optical Materials
T1 - Interfacial charge transfer complex between TiO2 and non-aromatic ligand squaric acid
VL - 123
SP - 111918
DO - 10.1016/j.optmat.2021.111918
ER -
@article{
author = "Barbieriková, Zuzana and Šimunková, Miriama and Brezová, Vlasta and Sredojević, Dušan and Lazić, Vesna M. and Lončarević, Davor and Nedeljković, Jovan",
year = "2022",
abstract = "The attachment of squaric acid, a non-aromatic molecule, to the surface of TiO2 powder induced the optical absorption of the obtained hybrid material in the visible spectral range due to the interfacial charge transfer complex formation. The optical characterization of the hybrid is supported by the density functional theory calculations of the model cluster. The paramagnetic species generated upon excitation with ultraviolet or visible light, in both TiO2 powders, pristine and surface-modified, were identified conducting low-temperature solid-state and indirect electron paramagnetic resonance (EPR) spectroscopy experiments (spin trapping and spin scavenging). The solid-state EPR experiments indicated the promotion of electrons from the organic moiety to the titania conduction band under visible-light excitation of hybrid. Also, the spin scavenging experiments showed that the electrons generated in the hybrid upon the visible-light activation facilitate the reduction of the radical cations present in the dispersion, while these effects are not observed for pristine TiO2.",
journal = "Optical Materials",
title = "Interfacial charge transfer complex between TiO2 and non-aromatic ligand squaric acid",
volume = "123",
pages = "111918",
doi = "10.1016/j.optmat.2021.111918"
}
Barbieriková, Z., Šimunková, M., Brezová, V., Sredojević, D., Lazić, V. M., Lončarević, D.,& Nedeljković, J.. (2022). Interfacial charge transfer complex between TiO2 and non-aromatic ligand squaric acid. in Optical Materials, 123, 111918.
https://doi.org/10.1016/j.optmat.2021.111918
Barbieriková Z, Šimunková M, Brezová V, Sredojević D, Lazić VM, Lončarević D, Nedeljković J. Interfacial charge transfer complex between TiO2 and non-aromatic ligand squaric acid. in Optical Materials. 2022;123:111918.
doi:10.1016/j.optmat.2021.111918 .
Barbieriková, Zuzana, Šimunková, Miriama, Brezová, Vlasta, Sredojević, Dušan, Lazić, Vesna M., Lončarević, Davor, Nedeljković, Jovan, "Interfacial charge transfer complex between TiO2 and non-aromatic ligand squaric acid" in Optical Materials, 123 (2022):111918,
https://doi.org/10.1016/j.optmat.2021.111918 . .
