Display options
Cite
Fan Y, Li HM, Duan RH, et al. Phosphonate-Stabilized Titanium-Oxo Clusters with Ferrocene Photosensitizer: Structures, Photophysical and Photoelectrochemical Properties, and DFT/TDDFT Calculations. Inorg Chem. 2017;56(21):12775-12782doi: 10.1021/acs.inorgchem.7b01527.
Fan, Y., Li, H. M., Duan, R. H., Lu, H. T., Cao, J. T., Zou, G. D., & Jing, Q. S. (2017). Phosphonate-Stabilized Titanium-Oxo Clusters with Ferrocene Photosensitizer: Structures, Photophysical and Photoelectrochemical Properties, and DFT/TDDFT Calculations. Inorganic chemistry, 56(21), 12775-12782. https://doi.org/10.1021/acs.inorgchem.7b01527
Fan, Yang, et al. "Phosphonate-Stabilized Titanium-Oxo Clusters with Ferrocene Photosensitizer: Structures, Photophysical and Photoelectrochemical Properties, and DFT/TDDFT Calculations." Inorganic chemistry vol. 56,21 (2017): 12775-12782. doi: https://doi.org/10.1021/acs.inorgchem.7b01527
Fan Y, Li HM, Duan RH, Lu HT, Cao JT, Zou GD, Jing QS. Phosphonate-Stabilized Titanium-Oxo Clusters with Ferrocene Photosensitizer: Structures, Photophysical and Photoelectrochemical Properties, and DFT/TDDFT Calculations. Inorg Chem. 2017 Nov 06;56(21):12775-12782. doi: 10.1021/acs.inorgchem.7b01527. PMID: 29027802.
Copy Download .nbib Format: NLM
Share it on

Inorg Chem. 2017 Nov 06;56(21):12775-12782. doi: 10.1021/acs.inorgchem.7b01527.

Phosphonate-Stabilized Titanium-Oxo Clusters with Ferrocene Photosensitizer: Structures, Photophysical and Photoelectrochemical Properties, and DFT/TDDFT Calculations.

Inorganic chemistry

Yang Fan, Hua-Min Li, Rui-Huan Duan, Hai-Ting Lu, Jun-Tao Cao, Guo-Dong Zou, Qiang-Shan Jing

Affiliations

  1. Henan Province Key Laboratory of Utilization of Non-metallic Mineral in the South of Henan, College of Chemistry and Chemical Engineering, Xinyang Normal University , Xinyang 464000, China.
  2. Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences , Fuzhou 350002, China.

PMID: 29027802 DOI: 10.1021/acs.inorgchem.7b01527

Abstract

The metal-to-core charge transfer (MCCT) transition in sensitized titanium-oxo clusters is an important process for photoinduced electron injection in photovoltaic conversion. This process resembles most closely the Type II photoinjection in dye-sensitized solar cells. Herein we report the synthesis and photophysical and photoelectrochemical (PEC) properties of the phosphonate-stabilized titanium-oxo clusters containing the ferrocenecarboxylate ligands. These ferrocene-containing clusters exhibit intense visible absorption extended up to 600 nm along with low optical band gaps of ∼2.2 eV. The low-energy transitions of these clusters were systematically investigated by UV-vis spectroscopy and DFT/TDDFT calculations. The combined experimental and computational studies suggest that the ferrocenecarboxylate-substituted titanium-oxo clusters form a donor-acceptor (D-A) system. The low-energy transition of these clusters primarily involves the MCCT from the iron center to TiO cluster core. The TiO core structure and phosphonate ligands both have great influence on the PEC properties of the clusters. This work provides valuable examples for the sensitized titanium-oxo clusters in which electron injection takes place via MCCT transition.

Publication Types