Molecular mechanism for the activation of Au25(SCH2CH2Ph)18 nanoclusters by imidazolium-based ionic liquids for catalysis

Abroshan, Hadi; Li, Gao; Lin, Jizhi; Kim, Hyung J.; Jin, Rongchao

doi:10.1016/j.jcat.2016.01.011

Title: Molecular mechanism for the activation of Au25(SCH2CH2Ph)18 nanoclusters by imidazolium-based ionic liquids for catalysis

Journal Article · Sun May 01 00:00:00 EDT 2016 · Journal of Catalysis

DOI:https://doi.org/10.1016/j.jcat.2016.01.011· OSTI ID:1341145

Abroshan, Hadi; Li, Gao; Lin, Jizhi; Kim, Hyung J.; Jin, Rongchao

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Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: FG02-12ER16354; SC0008813

OSTI ID:: 1341145

Journal Information:: Journal of Catalysis, Journal Name: Journal of Catalysis Vol. 337 Journal Issue: C; ISSN 0021-9517

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 46 works

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References (52)

Modeling Ionic Liquids Using a Systematic All-Atom Force Field Canongia Lopes, José N.; Deschamps, Johnny; Pádua, Agílio A. H. The Journal of Physical Chemistry B, Vol. 108, Issue 6 https://doi.org/10.1021/jp0362133	journal	February 2004
Catalysis by gold nanoparticles: carbon-carbon coupling reactions Li, Gao; Jin, Rongchao Nanotechnology Reviews, Vol. 2, Issue 5 https://doi.org/10.1515/ntrev-2013-0020	journal	January 2013
Nonscalable Oxidation Catalysis of Gold Clusters Yamazoe, Seiji; Koyasu, Kiichirou; Tsukuda, Tatsuya Accounts of Chemical Research, Vol. 47, Issue 3 https://doi.org/10.1021/ar400209a	journal	December 2013
Scalable molecular dynamics with NAMD Phillips, James C.; Braun, Rosemary; Wang, Wei Journal of Computational Chemistry, Vol. 26, Issue 16, p. 1781-1802 https://doi.org/10.1002/jcc.20289	journal	January 2005
Physicochemical properties of small metal particles in solution: "microelectrode" reactions, chemisorption, composite metal particles, and the atom-to-metal transition Henglein, Arnim The Journal of Physical Chemistry, Vol. 97, Issue 21 https://doi.org/10.1021/j100123a004	journal	May 1993
Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals Hay, P. Jeffrey; Wadt, Willard R. The Journal of Chemical Physics, Vol. 82, Issue 1, p. 299-310 https://doi.org/10.1063/1.448975	journal	January 1985
Gold catalyzes the Sonogashira coupling reaction without the requirement of palladium impurities Corma, Avelino; Juárez, Raquel; Boronat, Mercedes Chem. Commun., Vol. 47, Issue 5 https://doi.org/10.1039/C0CC04564K	journal	January 2011
Au25 nanocluster-catalyzed Ullmann-type homocoupling reaction of aryl iodides Li, Gao; Liu, Chao; Lei, Yu Chemical Communications, Vol. 48, Issue 98 https://doi.org/10.1039/c2cc34765b	journal	January 2012
Ionic liquids in catalysis Welton, Tom Coordination Chemistry Reviews, Vol. 248, Issue 21-24 https://doi.org/10.1016/j.ccr.2004.04.015	journal	December 2004
State-of-the-Art of CO ₂ Capture with Ionic Liquids Ramdin, Mahinder; de Loos, Theo W.; Vlugt, Thijs J. H. Industrial & Engineering Chemistry Research, Vol. 51, Issue 24 https://doi.org/10.1021/ie3003705	journal	June 2012
Derivatives of the thiolate-protected gold cluster Au25(SR)18 -1 Lopez-Acevedo, O.; Häkkinen, H. The European Physical Journal D, Vol. 63, Issue 2 https://doi.org/10.1140/epjd/e2011-10603-9	journal	April 2011
Molecular approaches to catalysis Boronat, Mercedes; Corma, Avelino Journal of Catalysis, Vol. 284, Issue 2 https://doi.org/10.1016/j.jcat.2011.09.010	journal	December 2011
Electrochemical properties of small clusters of metal atoms and their role in the surface enhanced Raman scattering Plieth, W. J. The Journal of Physical Chemistry, Vol. 86, Issue 16 https://doi.org/10.1021/j100213a020	journal	August 1982
Oxide-supported atomically precise gold nanocluster for catalyzing Sonogashira cross-coupling Li, Gao; Jiang, De-en; Liu, Chao Journal of Catalysis, Vol. 306 https://doi.org/10.1016/j.jcat.2013.06.017	journal	October 2013
Mechanistic Studies of the Suzuki Cross-Coupling Reaction Smith, George B.; Dezeny, George C.; Hughes, David L. The Journal of Organic Chemistry, Vol. 59, Issue 26 https://doi.org/10.1021/jo00105a036	journal	December 1994
Energy‐adjusted a b i n i t i o pseudopotentials for the first row transition elements Dolg, M.; Wedig, U.; Stoll, H. The Journal of Chemical Physics, Vol. 86, Issue 2 https://doi.org/10.1063/1.452288	journal	January 1987
Electrochemical Size Discrimination of Gold Nanoparticles Attached to Glass/Indium−Tin-Oxide Electrodes by Oxidation in Bromide-Containing Electrolyte Ivanova, Olga S.; Zamborini, Francis P. Analytical Chemistry, Vol. 82, Issue 13 https://doi.org/10.1021/ac101021q	journal	July 2010
Gold for CC Coupling Reactions: A Swiss-Army-Knife Catalyst? Wegner, Hermann A.; Auzias, Mathieu Angewandte Chemie International Edition, Vol. 50, Issue 36 https://doi.org/10.1002/anie.201101603	journal	August 2011
A linear scaling method for Hartree–Fock exchange calculations of large molecules Burant, John C.; Scuseria, Gustavo E.; Frisch, Michael J. The Journal of Chemical Physics, Vol. 105, Issue 19 https://doi.org/10.1063/1.472627	journal	November 1996
Constant pressure molecular dynamics simulation: The Langevin piston method Feller, Scott E.; Zhang, Yuhong; Pastor, Richard W. The Journal of Chemical Physics, Vol. 103, Issue 11 https://doi.org/10.1063/1.470648	journal	September 1995
Applications of ionic liquids in the chemical industry Plechkova, Natalia V.; Seddon, Kenneth R. Chem. Soc. Rev., Vol. 37, Issue 1 https://doi.org/10.1039/B006677J	journal	January 2008
Continuous surface charge polarizable continuum models of solvation. I. General formalism Scalmani, Giovanni; Frisch, Michael J. The Journal of Chemical Physics, Vol. 132, Issue 11 https://doi.org/10.1063/1.3359469	journal	March 2010
Size-Dependent Electrochemical Oxidation of Silver Nanoparticles Ivanova, Olga S.; Zamborini, Francis P. Journal of the American Chemical Society, Vol. 132, Issue 1 https://doi.org/10.1021/ja908780g	journal	January 2010
Oxidation of Highly Unstable <4 nm Diameter Gold Nanoparticles 850 mV Negative of the Bulk Oxidation Potential Masitas, Rafael A.; Zamborini, Francis P. Journal of the American Chemical Society, Vol. 134, Issue 11 https://doi.org/10.1021/ja2108933	journal	March 2012
MIDI! basis set for silicon, bromine, and iodine Li, Jiabo; Cramer, Christopher J.; Truhlar, Donald G. Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), Vol. 99, Issue 3 https://doi.org/10.1007/s002140050323	journal	May 1998
Efficient, Selective, and Recyclable Palladium Catalysts in Carbon−Carbon Coupling Reactions Molnár, Árpád Chemical Reviews, Vol. 111, Issue 3 https://doi.org/10.1021/cr100355b	journal	March 2011
Experimental and Mechanistic Understanding of Aldehyde Hydrogenation Using Au ₂₅ Nanoclusters with Lewis Acids: Unique Sites for Catalytic Reactions Li, Gao; Abroshan, Hadi; Chen, Yuxiang Journal of the American Chemical Society, Vol. 137, Issue 45 https://doi.org/10.1021/jacs.5b07716	journal	November 2015
On the Chemical Stabilities of Ionic Liquids Sowmiah, Subbiah; Srinivasadesikan, Venkatesan; Tseng, Ming-Chung Molecules, Vol. 14, Issue 9 https://doi.org/10.3390/molecules14093780	journal	September 2009
Computational Perspective on Pd-Catalyzed C–C Cross-Coupling Reaction Mechanisms García-Melchor, Max; Braga, Ataualpa A. C.; Lledós, Agustí Accounts of Chemical Research, Vol. 46, Issue 11 https://doi.org/10.1021/ar400080r	journal	July 2013
Density‐functional thermochemistry. III. The role of exact exchange Becke, Axel D. The Journal of Chemical Physics, Vol. 98, Issue 7, p. 5648-5652 https://doi.org/10.1063/1.464913	journal	April 1993
Supported Gold Catalyzes the Homocoupling of Phenylboronic Acid with High Conversion and Selectivity Carrettin, Silvio; Guzman, Javier; Corma, Avelino Angewandte Chemie International Edition, Vol. 44, Issue 15 https://doi.org/10.1002/anie.200462560	journal	April 2005
From the reactivity of N-heterocyclic carbenes to new chemistry in ionic liquids Canal, John P.; Ramnial, Taramatee; Dickie, Diane A. Chemical Communications, Issue 17 https://doi.org/10.1039/b512462j	journal	January 2006
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids Jorgensen, William L.; Maxwell, David S.; Tirado-Rives, Julian Journal of the American Chemical Society, Vol. 118, Issue 45 https://doi.org/10.1021/ja9621760	journal	January 1996
Gold Nanocluster-Catalyzed Semihydrogenation: A Unique Activation Pathway for Terminal Alkynes Li, Gao; Jin, Rongchao Journal of the American Chemical Society, Vol. 136, Issue 32 https://doi.org/10.1021/ja503724j	journal	July 2014
Atomically Precise Gold Nanoclusters as New Model Catalysts Li, Gao; Jin, Rongchao Accounts of Chemical Research, Vol. 46, Issue 8 https://doi.org/10.1021/ar300213z	journal	March 2013
Room-Temperature Ionic Liquids. Solvents for Synthesis and Catalysis Welton, Thomas Chemical Reviews, Vol. 99, Issue 8, p. 2071-2084 https://doi.org/10.1021/cr980032t	journal	August 1999
Ionic liquids: solvent properties and organic reactivity Chiappe, Cinzia; Pieraccini, Daniela Journal of Physical Organic Chemistry, Vol. 18, Issue 4 https://doi.org/10.1002/poc.863	journal	January 2005
Nanocatalysts for Suzuki cross-coupling reactions Fihri, Aziz; Bouhrara, Mohamed; Nekoueishahraki, Bijan Chemical Society Reviews, Vol. 40, Issue 10 https://doi.org/10.1039/c1cs15079k	journal	January 2011
Thiolate Ligands as a Double-Edged Sword for CO Oxidation on CeO ₂ Supported Au ₂₅ (SCH ₂ CH ₂ Ph) ₁₈ Nanoclusters Wu, Zili; Jiang, De-en; Mann, Amanda K. P. Journal of the American Chemical Society, Vol. 136, Issue 16 https://doi.org/10.1021/ja5018706	journal	April 2014
Monoligated Palladium Species as Catalysts in Cross-Coupling Reactions Christmann, Ute; Vilar, Ram�n Angewandte Chemie International Edition, Vol. 44, Issue 3 https://doi.org/10.1002/anie.200461189	journal	January 2005
A review of ionic liquids towards supercritical fluid applications Keskin, Seda; Kayrak-Talay, Defne; Akman, Uğur The Journal of Supercritical Fluids, Vol. 43, Issue 1 https://doi.org/10.1016/j.supflu.2007.05.013	journal	November 2007
Correlating the Crystal Structure of A Thiol-Protected Au₂₅ Cluster and Optical Properties Zhu, Manzhou; Aikens, Christine M.; Hollander, Frederick J. Journal of the American Chemical Society, Vol. 130, Issue 18, p. 5883-5885 https://doi.org/10.1021/ja801173r	journal	May 2008
Effect of SO ₂ on CO ₂ Absorption in Flue Gas by Ionic Liquid 1-Ethyl-3-methylimidazolium Acetate Li, Xiaoshan; Zhang, Liqi; Zheng, Ying Industrial & Engineering Chemistry Research, Vol. 54, Issue 34 https://doi.org/10.1021/acs.iecr.5b02208	journal	August 2015
Gold-Catalyzed Cross-Couplings: New Opportunities for CC Bond Formation Garcia, Pierre; Malacria, Max; Aubert, Corinne ChemCatChem, Vol. 2, Issue 5 https://doi.org/10.1002/cctc.200900319	journal	March 2010
Energy-adjustedab initio pseudopotentials for the second and third row transition elements Andrae, D.; H�u�ermann, U.; Dolg, M. Theoretica Chimica Acta, Vol. 77, Issue 2 https://doi.org/10.1007/BF01114537	journal	January 1990
Kinetically Controlled, High-Yield Synthesis of Au ₂₅ Clusters Zhu, Manzhou; Lanni, Eric; Garg, Niti Journal of the American Chemical Society, Vol. 130, Issue 4 https://doi.org/10.1021/ja0782448	journal	January 2008
Stable Au ₂₅ (SR) ₁₈ /TiO ₂ Composite Nanostructure with Enhanced Visible Light Photocatalytic Activity Yu, Changlin; Li, Gao; Kumar, Santosh The Journal of Physical Chemistry Letters, Vol. 4, Issue 17 https://doi.org/10.1021/jz401447w	journal	August 2013
Palladium-Catalyzed Cross-Coupling: A Historical Contextual Perspective to the 2010 Nobel Prize Johansson Seechurn, Carin C. C.; Kitching, Matthew O.; Colacot, Thomas J. Angewandte Chemie International Edition, Vol. 51, Issue 21, p. 5062-5085 https://doi.org/10.1002/anie.201107017	journal	May 2012
Non-conventional methodologies for transition-metal catalysed carbon–carbon coupling: a critical overview. Part 2: The Suzuki reaction Alonso, Francisco; Beletskaya, Irina P.; Yus, Miguel Tetrahedron, Vol. 64, Issue 14 https://doi.org/10.1016/j.tet.2007.12.036	journal	March 2008
Polar solvent contributions to activation parameters for model ionic reactions Morita, Terumitsu; Ladanyi, Branka M.; Hynes, James T. The Journal of Physical Chemistry, Vol. 93, Issue 4 https://doi.org/10.1021/j100341a041	journal	February 1989
Physico-chemical processes in imidazolium ionic liquids Dupont, Jairton; Suarez, Paulo A. Z. Physical Chemistry Chemical Physics, Vol. 8, Issue 21 https://doi.org/10.1039/b602046a	journal	January 2006
Nanoparticles as Recyclable Catalysts: The Frontier between Homogeneous and Heterogeneous Catalysis Astruc, Didier; Lu, Feng; Aranzaes, Jaime Ruiz Angewandte Chemie International Edition, Vol. 44, Issue 48 https://doi.org/10.1002/anie.200500766	journal	December 2005

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