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Making C-C bond with gold catalysts: A theoretical study of the influence of gold particle size on the dissociation of the C-X bond in aryl halides

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Making C-C bond with gold catalysts: A theoretical study of the influence of gold particle size on the dissociation of the C-X bond in aryl halides

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Boronat Zaragoza, M.; López Auséns, JT.; Corma Canós, A. (2014). Making C-C bond with gold catalysts: A theoretical study of the influence of gold particle size on the dissociation of the C-X bond in aryl halides. Journal of Physical Chemistry C. 118(17):9018-9029. doi:10.1021/jp500806w

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Title: Making C-C bond with gold catalysts: A theoretical study of the influence of gold particle size on the dissociation of the C-X bond in aryl halides
Author:
UPV Unit: Universitat Politècnica de València. Instituto Universitario Mixto de Tecnología Química - Institut Universitari Mixt de Tecnologia Química
Universitat Politècnica de València. Departamento de Química - Departament de Química
Issued date:
Abstract:
The adsorption and activation of iodo-, bromo-, and chlorobenzene over gold catalysts of different size, including an extended Au(111) surface; three-dimensional Au38 and Au13 nanoparticles; and planar Au7, Au6, and Au3 ...[+]
Subjects: CROSS-COUPLING REACTIONS , FINDING SADDLE-POINTS , HETEROGENEOUS CATALYSTS , CORRELATION-ENERGY , AQUEOUS-MEDIA , NANOPARTICLES , IODOBENZENE; SUZUKI , PHENYLACETYLENE , PALLADIUM
Copyrigths: Cerrado
Source:
Journal of Physical Chemistry C. (issn: 1932-7447 )
DOI: 10.1021/jp500806w
Publisher:
American Chemical Society
Publisher version: http://dx.doi.org/10.1021/jp500806w
Thanks:
Financial support from the Spanish Science and Innovation Ministry (Consolider Ingenio 2010-MULTICAT CSD2009-00050, Subprograma de apoyo a Centros y Universidades de Excelencia Severo Ochoa SEV 2012 0267, MAT2011-28009 ...[+]
Type: Artículo

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