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A hexagonal Ni-6 cluster protected by 2-phenylethanethiol for catalytic conversion of toluene to benzaldehyde
Pembere, Anthony M. S.; Cui, Chaonan; Anumula, Rajini; Wu, Haiming; An, Pan; Liang, Tongling; Luo, Zhixun
2019-08-28
Source PublicationPHYSICAL CHEMISTRY CHEMICAL PHYSICS
ISSN1463-9076
Volume21Issue:32Pages:17933-17938
AbstractWe have synthesized single crystals of a 2-phenylethanethiol-protected Ni-6 nanocluster, namely Ni-6(C8H9S)(12), which shows a hexagonal metallic core structure and reasonable stability. Interestingly this cluster is found to be an excellent candidate for the catalytic oxidation of toluene to benzaldehyde, with 100% conversion and 91% selectivity, showing application potential as an aromatic aldehyde in industry. Using DFT calculations, we rationalize the catalytic reaction mechanism for the conversion of toluene to benzaldehyde, and demonstrate that the presence of H2O2 initiates the Ni-6 cluster via a highly exothermic step to form a Ni6O* intermediate which then results in active sites for the oxidation of toluene. What is interesting is that the likely steric geometry matching of the six-ring Ni-6 core, a dozen phenylethanethiol ligands and the aromatic reactant toluene could attain a synergistic effect to facilitate the production of benzaldehyde free of catalyst support.
DOI10.1039/c9cp02964h
Indexed BySCI
Language英语
WOS IDWOS:000481777100043
EI Accession Number1463-9084
Citation statistics
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/82632
Collection中国科学院化学研究所
AffiliationChinese Acad Sci, Inst Chem, Beijing 100190, Peoples R China
Recommended Citation
GB/T 7714
Pembere, Anthony M. S.,Cui, Chaonan,Anumula, Rajini,et al. A hexagonal Ni-6 cluster protected by 2-phenylethanethiol for catalytic conversion of toluene to benzaldehyde[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2019,21(32):17933-17938.
APA Pembere, Anthony M. S..,Cui, Chaonan.,Anumula, Rajini.,Wu, Haiming.,An, Pan.,...&Luo, Zhixun.(2019).A hexagonal Ni-6 cluster protected by 2-phenylethanethiol for catalytic conversion of toluene to benzaldehyde.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,21(32),17933-17938.
MLA Pembere, Anthony M. S.,et al."A hexagonal Ni-6 cluster protected by 2-phenylethanethiol for catalytic conversion of toluene to benzaldehyde".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.32(2019):17933-17938.
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