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Phenanthroline-Mediated Photoelectrical Enhancement in Calix[4]arene-Functionalized Titanium-Oxo Clusters.
- Source :
- Molecules; Jun2024, Vol. 29 Issue 11, p2566, 14p
- Publication Year :
- 2024
-
Abstract
- Incorporating two organic ligands with different functionalities into a titanium-oxo cluster entity simultaneously can endow the material with their respective properties and provide synergistic performance enhancement, which is of great significance for enriching the structure and properties of titanium-oxo clusters (TOCs). However, the synthesis of such TOCs is highly challenging. In this work, we successfully synthesized a TBC4A-functionalized TOC, [Ti<subscript>2</subscript>(TBC4A)<subscript>2</subscript>(MeO)<subscript>2</subscript>] (Ti2; MeOH = methanol, TBC4A = tert-butylcalix[4]arene). By adjusting the solvent system, we successfully introduced 1,10-phenanthroline (Phen) and prepared TBC4A and Phen co-protected [Ti<subscript>2</subscript>(TBC4A)<subscript>2</subscript>(Phen)<subscript>2</subscript>] (Ti2-Phen). Moreover, when Phen was replaced with bulky 4,7-diphenyl-1,10-phenanthroline (Bphen), [Ti<subscript>2</subscript>(TBC4A)<subscript>2</subscript>(Bphen)<subscript>2</subscript>] (Ti2-Bphen), which is isostructural with Ti2-Phen, was obtained, demonstrating the generality of the synthetic method. Remarkably, Ti2-Phen demonstrates good stability and stronger light absorption, as well as superior photoelectric performance compared to Ti2. Density functional theory (DFT) calculations reveal that there exists ligand-to-core charge transfer (LCCT) in Ti2, while an unusual ligand-to-ligand charge transfer (LLCT) is present in Ti2-Phen, accompanied by partial LCCT. Therefore, the superior light absorption and photoelectric properties of Ti2-Phen are attributed to the existence of the unusual LLCT phenomenon. This study not only deeply explores the influence of Phen on the performance of the material but also provides a reference for the preparation of materials with excellent photoelectric performance. [ABSTRACT FROM AUTHOR]
- Subjects :
- CHARGE transfer
DENSITY functional theory
LIGHT absorption
REFERENCE sources
Subjects
Details
- Language :
- English
- ISSN :
- 14203049
- Volume :
- 29
- Issue :
- 11
- Database :
- Complementary Index
- Journal :
- Molecules
- Publication Type :
- Academic Journal
- Accession number :
- 177861812
- Full Text :
- https://doi.org/10.3390/molecules29112566