A hexagonal Ni-6 cluster protected by 2-phenylethanethiol for catalytic conversion of toluene to benzaldehyde

doi:10.1039/c9cp02964h

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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
刊名	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
	2019-08-28
卷号	21 期号:32 页码:17933-17938
ISSN号	1463-9076
DOI	10.1039/c9cp02964h
英文摘要	We 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.
语种	英语
WOS记录号	WOS:000481777100043
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/82632]
专题	中国科学院化学研究所
作者单位	Chinese Acad Sci, Inst Chem, Beijing 100190, Peoples R China
推荐引用方式 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.