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Probing the nature of acetylene bound to the active site of a NiNa-zeolite Y catalyst by in situ neutron scattering

Turner, JFC; Benmore, CJ; Barker, CM; Kaltsoyannis, N; Thomas, JM; David, WIF; Catlow, CRA; (2000) Probing the nature of acetylene bound to the active site of a NiNa-zeolite Y catalyst by in situ neutron scattering. J PHYS CHEM B , 104 (32) 7570 - 7573. 10.1021/jp0017994.

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Abstract

An investigation of the interaction between a catalytic system and its substrate (reactant) using neutron diffraction with isotopic substitution (NDIS) is reported. Specifically, the interaction between acetylene and nickel ion exchanged sodium zeolite Y has been investigated using NDIS in situ, revealing the radial distribution of distances at the disordered nickel sites. This is the first time that NDIS has been used for an in situ study, as well as the first time that a catalytic system has been structurally interrogated using this method. The experimental findings are supported and amplified by density functional calculations. Both experiment and theory reveal a Ni-II-(eta(2)-C2H2) complex with small but significant deviation of the geometry exhibited by acetylene in its free state.

Type:Article
Title:Probing the nature of acetylene bound to the active site of a NiNa-zeolite Y catalyst by in situ neutron scattering
DOI:10.1021/jp0017994
Keywords:POWDER PROFILE, CYCLOTRIMERIZATION, ENVIRONMENT, DIFFRACTION, ACCURATE, ENERGY, IONS
UCL classification:UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Chemistry

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