Raghu Nath DhitalChoavarit KamonsatikulEkasith SomsookKaran BobuatongMasahiro EharaSangita KaranjitHidehiro SakuraiSokendai Graduate University for Advanced StudiesNational Institutes of Natural Sciences - Institute for Molecular ScienceNational Institutes of Natural Sciences - Research Center for Computational ScienceMahidol University2018-06-112018-06-112012-12-19Journal of the American Chemical Society. Vol.134, No.50 (2012), 20250-2025315205126000278632-s2.0-84871399545https://repository.li.mahidol.ac.th/handle/20.500.14594/13543This paper describes the unique catalytic activity of bimetallic Au/Pd alloy nanoclusters (NCs) for Ullmann coupling of chloroarenes in aqueous media at low temperature. The corresponding reaction cannot be achieved by monometallic Au and Pd NCs as well as their physical mixtures. On the basis of quantum chemical calculation, it was found that the crucial step to govern the unusual catalytic activity of Au/Pd is the dissociative chemisorption of ArCl, which is unlikely in the monometallic Au and Pd NCs. © 2012 American Chemical Society.Mahidol UniversityBiochemistry, Genetics and Molecular BiologyChemical EngineeringChemistryArticleSCOPUS10.1021/ja309606k