Title | Photocatalytic C-H Bond Activation of Toluene on Rutile TiO2(110) |
Author | |
Corresponding Author | Fan, Hongjun; Guo, Qing |
Publication Years | 2022-07-28
|
DOI | |
Source Title | |
ISSN | 1932-7447
|
EISSN | 1932-7455
|
Volume | 126Issue:29Pages:11963-11970 |
Abstract | The activation of sp(3) C-H bond over photoactive TiO2 catalysts has emerged as a promising means to realize the functionalization of hydrocarbons under mild conditions. However, a fundamental understanding of the microscopic mechanism is still unclear. In this work, we have systematically investigated the photochemistry of toluene on rutile (R)-TiO2(110) with temperature-programmed desorption (TPD) and density functional theory (DFT). The TPD results demonstrate that UV light (355 nm) efficiently facilitates the methyl C-H bond activation of toluene at 100 K, forming the stable C6H5CH2 group intermediate adsorbed on five-coordinated Ti4+ sites (Ti-5c) until around room temperature (similar to 300 K). Further DFT calculations suggest that the photocatalytic C-H bond cleavage follow a homolytic manner via the formation of active benzyl radical (C6H5CH2 center dot). Our findings provide an insightful understanding of photocatalytic hydrocarbon functionalization on TiO2 catalysts. |
URL | [Source Record] |
Indexed By | |
Language | English
|
SUSTech Authorship | First
; Corresponding
|
Funding Project | National Key R&D Program of China[2018YFE0203002]
; National Natural Science Foundation of China["22173041","22103033","22103031","21873096"]
; Strategic Priority Research Program of Chinese Academy of Sciences[XDB17000000]
; Shenzhen Science and Technology Innovation Committee["J C Y J 2 0 1 9 0 8 0 9 1 4 0 2 1 6 6 0","ZDSYS20200421111001787"]
; Guangdong Innovative and Entrepreneurial Research Team Program["2019ZT08L455","2019JC01X091"]
; Chinese Academy of Science[121421KYSB20170012]
|
WOS Research Area | Chemistry
; Science & Technology - Other Topics
; Materials Science
|
WOS Subject | Chemistry, Physical
; Nanoscience & Nanotechnology
; Materials Science, Multidisciplinary
|
WOS Accession No | WOS:000831044500001
|
Publisher | |
EI Accession Number | 20223412623188
|
EI Keywords | Chemical activation
; Chemical bonds
; Density functional theory
; Oxide minerals
; Temperature programmed desorption
; Titanium dioxide
|
ESI Classification Code | Minerals:482.2
; Physical Chemistry:801.4
; Chemical Reactions:802.2
; Chemical Operations:802.3
; Chemical Products Generally:804
; Organic Compounds:804.1
; Inorganic Compounds:804.2
; Probability Theory:922.1
; Atomic and Molecular Physics:931.3
; Quantum Theory; Quantum Mechanics:931.4
|
Data Source | Web of Science
|
Citation statistics |
Cited Times [WOS]:5
|
Document Type | Journal Article |
Identifier | http://kc.sustech.edu.cn/handle/2SGJ60CL/364981 |
Department | Department of Chemistry |
Affiliation | 1.Southern Univ Sci & Technol, Shenzhen Key Lab Energy Chem, Shenzhen 518055, Guangdong, Peoples R China 2.Southern Univ Sci & Technol, Dept Chem, Shenzhen 518055, Guangdong, Peoples R China 3.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Liaoning, Peoples R China 4.Dalian Maritime Univ, Coll Environm Sci & Engn, Dalian 116026, Liaoning, Peoples R China |
First Author Affilication | Southern University of Science and Technology; Department of Chemistry |
Corresponding Author Affilication | Southern University of Science and Technology; Department of Chemistry |
First Author's First Affilication | Southern University of Science and Technology |
Recommended Citation GB/T 7714 |
Li, Fangliang,Wang, Binli,Chen, Xiao,et al. Photocatalytic C-H Bond Activation of Toluene on Rutile TiO2(110)[J]. Journal of Physical Chemistry C,2022,126(29):11963-11970.
|
APA |
Li, Fangliang.,Wang, Binli.,Chen, Xiao.,Zeng, Weiwang.,Sun, Rulin.,...&Guo, Qing.(2022).Photocatalytic C-H Bond Activation of Toluene on Rutile TiO2(110).Journal of Physical Chemistry C,126(29),11963-11970.
|
MLA |
Li, Fangliang,et al."Photocatalytic C-H Bond Activation of Toluene on Rutile TiO2(110)".Journal of Physical Chemistry C 126.29(2022):11963-11970.
|
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