Transformation of Au144(SCH2CH2Ph)60 to Au133(SPh- t Bu)52 Nanomolecules: Theoretical and experimental study

Journal of Physical Chemistry Letters

Volumn 6, Issue 11, 2015, Pages 2134-2139

  Nimmala, Praneeth Reddy ^a   Theivendran, Shevanuja ^a   Barcaro, Giovanni ^b   Sementa, Luca ^b   Kumara, Chanaka ^a   Jupally, Vijay Reddy ^a   Apra, Edoardo ^c   Stener, Mauro ^d   Fortunelli, Alessandro ^b   Dass, Amala ^a  

^a UNIVERSITY OF MISSISSIPPI   (United States)

^b CNR   (Italy)

^c PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^d UNIVERSITY OF TRIESTE   (Italy)

Author keywords

and conjugating effects; Au133(SPh t Bu)52 nanomolecules; core size conversion; ligand replacement process

Indexed keywords

ETCHING; LIGANDS; MASS SPECTROMETRY;

AB INITIO MOLECULAR DYNAMICS SIMULATION; AND CONJUGATING EFFECTS; COMPOSITIONAL CHANGES; CORE SIZE; ELECTROSPRAY MASS SPECTROMETRY; NANO-MOLECULES; OPTICAL SPECTROSCOPY; REACTIVE SPECIES;

MOLECULAR DYNAMICS;

EID: 84930666778     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/acs.jpclett.5b00780     Document Type: Article

References (36)

1. Schaaff, T. G.; Whetten, R. L. Controlled Etching of Au: SR Cluster Compounds J. Phys. Chem. B 1999, 103, 9394-9396
2. 50 Nanomolecules Through Core Size Conversion of Larger Metal Clusters Phys. Chem. Chem. Phys. 2014, 16, 10473-10479
3. 60 J. Am. Chem. Soc. 2014, 136, 17016-17023
4. Negishi, Y. A Critical Size for Emergence of Nonbulk Electronic and Geometric Structures in Dodecanethiolate-Protected Au Clusters J. Am. Chem. Soc. 2015, 137, 1206-1212
5. Tvedte, L. M.; Ackerson, C. J. Size-Focusing Synthesis of Gold Nanoclusters with p -Mercaptobenzoic Acid J. Phys. Chem. A 2014, 118, 8124-8128
6. Udayabhaskararao, T.; Pradeep, T. New Protocols for the Synthesis of Stable Ag and Au Nanocluster Molecules J. Phys. Chem. Lett. 2013, 4, 1553-1564
7. 18 Acc. Chem. Res. 2010, 43, 1289-1296
8. Chaki, N. K.; Negishi, Y.; Tsunoyama, H.; Shichibu, Y.; Tsukuda, T. Ubiquitous 8 and 29 kDa gold: Alkanethiolate Cluster Compounds: Mass-Spectrometric Determination of Molecular Formulas and Structural Implications J. Am. Chem. Soc. 2008, 130, 8608-8610
9. Schaaff, T. G.; Shafigullin, M. N.; Khoury, J. T.; Vezmar, I.; Whetten, R. L. Properties of a Ubiquitous 29 kDa Au: SR Cluster Compound J. Phys. Chem. B 2001, 105, 8785-8796
10. Jin, R.; Qian, H.; Wu, Z.; Zhu, Y.; Zhu, M.; Mohanty, A.; Garg, N. Size Focusing: A Methodology for Synthesizing Atomically Precise Gold Nanoclusters J. Phys. Chem. Lett. 2010, 1, 2903-2910
11. 40 Nanomolecules Langmuir 2014, 30, 2490-2497
12. 23 Nanomolecules J. Am. Chem. Soc. 2011, 133, 9175-9177
13. 38 Clusters J. Am. Chem. Soc. 2008, 130, 11049-11055
14. 24 Nanoclusters ACS Nano 2009, 3, 3795-3803
15. Jadzinsky, P. D.; Calero, G.; Ackerson, C. J.; Bushnell, D. A.; Kornberg, R. D. Structure of a Thiol Monolayer-Protected Gold Nanoparticle at 1.1 Angstrom Resolution Science 2007, 318, 430-433
16. Qian, H.; Zhu, M.; Wu, Z.; Jin, R. Quantum Sized Gold Nanoclusters with Atomic Precision Acc. Chem. Res. 2012, 45, 1470-79
17. 52 Nanomolecules: X-ray Crystallography, Optical, Electrochemical, and Theoretical Analysis J. Am. Chem. Soc. 2015, 137, 4610-4613
18. 52 Nanoparticle Sci. Adv. 2015, 1, 31500045
19. Heinecke, C. L.; Ni, T. W.; Malola, S.; Mäkinen, V.; Wong, O. A.; Häkkinen, H.; Ackerson, C. J. Structural and Theoretical Basis for Ligand Exchange on Thiolate Monolayer Protected Gold Nanoclusters J. Am. Chem. Soc. 2012, 134, 13316-13322
20. 2 Chem. Commun. 2014, 50, 9895-9898
21. Alvarez, M. M.; Khoury, J. T.; Schaaff, T. G.; Shafigullin, M. N.; Vezmar, I.; Whetten, R. L. Optical Absorption Spectra of Nanocrystal Gold Molecules J. Phys. Chem. B 1997, 101, 3706-3712
22. Murray, R. W. Nanoelectrochemistry: Metal Nanoparticles, Nanoelectrodes, and Nanopores Chem. Rev. 2008, 108, 2688-2720
23. 24 Nanomolecules: X-ray Crystal Structure, Optical Spectroscopy, Electrochemistry, and Theoretical Analysis J. Phys. Chem. B 2014, 118, 14157-14167
24. 18 J. Am. Chem. Soc. 2014, 136, 14933-14940
25. 38 Clusters Protected by Achiral Ligands Nat. Commun. 2012, 3, 798
26. Negishi, Y.; Kurashige, W.; Niihori, Y.; Nobusada, K. Toward the Creation of Stable, Functionalized Metal Clusters Phys. Chem. Chem. Phys. 2013, 15, 18736-18751
27. Aikens, C. M. Electronic Structure of Ligand-Passivated Gold and Silver Nanoclusters J. Phys. Chem. Lett. 2010, 2, 99-104
28. Hakkinen, H. The Gold-Sulfur Interface at the Nanoscale Nat. Chem. 2012, 4, 443-455
29. x J. Am. Chem. Soc. 2008, 130, 5940-5946
30. Hutter, J.; Iannuzzi, M.; Schiffmann, F.; VandeVondele, J. Cp2k: Atomistic Simulations of Condensed Matter Systems Wiley Interdiscip. Rev.: Comput. Mol. Sci. 2014, 4, 15-25
31. Lippert, G.; Hutter, J.; Parrinello, M. The Gaussian and Augmented-Plane-Wave Density Functional Method for Ab Initio Molecular Dynamics Simulations Theor. Chem. Acc. 1999, 103, 124-140
32. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868
33. Goedecker, S.; Teter, M.; Hutter, J. Separable Dual-Space Gaussian Pseudopotentials Phys. Rev. B 1996, 54, 1703-1710
34. VandeVondele, J.; Hutter, J. Gaussian Basis Sets for Accurate Calculations on Molecular Systems in Gas and Condensed Phases J. Chem. Phys. 2007, 127, 114105
35. Brust, M.; Walker, M.; Bethell, D.; Schiffrin, D. J.; Whyman, R. Synthesis of Thiol-Derivatised Gold Nanoparticles in a Two-Phase Liquid-Liquid System J. Chem. Soc., Chem. Commun. 1994, 801-802
36. Martyna, G. J.; Klein, M. L.; Tuckerman, M. Nosé-Hoover chains: The Canonical Ensemble via Continuous Dynamics J. Chem. Phys. 1992, 97, 2635-2643