Unraveling structures of protection ligands on gold nanoparticle Au68(SH)32

Science Advances

Volumn 1, Issue 3, 2015, Pages

  Xu, Wen Wu ^a   Gao, Yi ^a,b   Zeng, Xiao Cheng ^b  

^a SHANGHAI INSTITUTE OF APPLIED PHYSICS   (China)

^b UNIVERSITY OF NEBRASKA LINCOLN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; ATOMS; CATALYTIC OXIDATION; COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY; ELECTROMAGNETIC WAVE ABSORPTION; GOLD COMPOUNDS; HIGH RESOLUTION TRANSMISSION ELECTRON MICROSCOPY; ISOMERS; LIGANDS; LIGHT ABSORPTION; METAL NANOPARTICLES; NANOPARTICLES; PLANTS (BOTANY); TRANSMISSION ELECTRON MICROSCOPY;

ATOMIC POSITIONS; CATALYTIC APPLICATIONS; CATALYTIC PROPERTIES; GOLD NANOPARTICLES; MAGIC-NUMBER CLUSTERS; NANOSCALE CATALYSTS; OPTIMIZED STRUCTURES; STATE OF THE ART;

GOLD;

EID: 84933075480     PISSN: None     EISSN: 23752548     Source Type: Journal    
DOI: 10.1126/sciadv.1400211     Document Type: Article

References (40)

1. R. Jin, Quantum sized, thiolate-protected gold nanoclusters. Nanoscale 2, 343-362 (2010).
2. M. M. Alvarez, J. T. Khoury, T. G. Schaaff, M. N. Shafigullin, I. Vezmar, R. L. Whetten, Optical absorption spectra of nanocrystal gold molecules. J. Phys. Chem. B 101, 3706-3712 (1997).
3. Y. Negishi, K. Nobusada, T. Tsukuda, Glutathione-protected gold clusters revisited:Bridging the gap between gold(i)-thiolate complexes and thiolate-protected gold nanocrystals. J. Am. Chem. Soc. 127, 5261-5270 (2005).
4. S. Chen, R. S. Ingram, M. J. Hostetler, J. J. Pietron, R. W. Murray, T. G. Schaaff, J. T. Khoury, M. M. Alvarez, R. L. Whetten, Gold nanoelectrodes of varied size: Transition to moleculelike charging. Science 280, 2098-2101 (1998).
5. A. S. K. Hashmi, G. J. Hutchings, Gold catalysis. Angew. Chem. Int. Ed. Engl. 45, 7896-7936 (2006).
6. H. Häkkinen, The gold-sulfur interface at the nanoscale. Nat. Chem. 4, 443-455 (2012).
7. Y. Pei, X. C. Zeng, Investigating the structural evolution of thiolate protected gold clusters from first-principles. Nanoscale 4, 4054-4072 (2012).
8. H. Qian, M. Zhu, Z. Wu, R. Jin, Quantum sized gold nanoclusters with atomic precision. Acc. Chem. Res. 45, 1470-1479 (2012).
9. S. Knoppe, I. Dolamic, A. Dass, T. Burgi, Separation of enantiomers and CD spectra of Au40(SCH2CH2Ph)24: Spectroscopic evidence for intrinsic chirality. Angew. Chem. Int. Ed. Engl. 51, 7589-7591 (2012).
10. P. D. Jadzinsky, G. Calero, C. J. Ackerson, D. A. Bushnell, R. D. Kornberg, Structure of a thiol monolayer-protected gold nanoparticle at 1.1 Å resolution. Science 318, 430-433 (2007).
11. M. W. Heaven, A. Dass, P. S. White, K. M. Holt, R. W. Murray, Crystal structure of the gold nanoparticle [N(C8H17)4][Au25(SCH2CH2Ph)18]. J. Am. Chem. Soc. 130, 3754-3755 (2008).
12. J. Akola, M. Walter, R. L. Whetten, H. Häkkinen, H. Grönbeck, On the structure of thiolateprotected Au25. J. Am. Chem. Soc. 130, 3756-3757 (2008).
13. M. Zhu, C. M. Aikens, F. J. Hollander, G. C. Schatz, R. Jin, Correlating the crystal structure of a thiol-protected Au25 cluster and optical properties. J. Am. Chem. Soc. 130, 5883-5885 (2008).
14. H. Qian, W. T. Eckenhoff, Y. Zhu, T. Pintauer, R. Jin, Total structure determination of thiolateprotected Au38 nanoparticles. J. Am. Chem. Soc. 132, 8280-8281 (2010).
15. C. Zeng, H. Qian, T. Li, G. Li, N. L. Rosi, B. Yoon, R. N. Barnett, R. L. Whetten, U. Landman, R. Jin, Total structure and electronic properties of the gold nanocrystal Au36(SR)24. Angew. Chem. Int. Ed. Engl. 51, 13114-13118 (2012).
16. C. Zeng, T. Li, A. Das, N. L. Rosi, R. Jin, Chiral structure of thiolate-protected 28-gold-atom nanocluster determined by x-ray crystallography. J. Am. Chem. Soc. 135, 10011-10013 (2013).
17. C. Zeng, C. Liu, Y. Chen, N. L. Rosi, R. Jin, Gold-thiolate ring as a protecting motif in the Au20(SR)16 nanocluster and implications. J. Am. Chem. Soc. 136, 11922-11925 (2014).
18. D. Crasto, G. Barcaro, M. Stener, L. Sementa, A. Fortunelli, A. Dass, Au24(SAdm)16 nanomolecules: X-ray crystal structure, theoretical analysis, adaptability of adamantane ligands to form Au23(SAdm)16 and Au25(SAdm)16, and its relation to Au25(SR)18. J. Am. Chem. Soc. 136, 14933-14940 (2014).
19. A. Das, C. Liu, H. Y. Byun, K. Nobusada, S. Zhao, N. Rosi, R. Jin, Structure determination of [Au18(SR)14]. Angew. Chem. Int. Ed. Engl. 54, 3140-3144 (2015).
20. M. Azubel, J. Koivisto, S. Malola, D. Bushnell, G. L. Hura, A. L. Koh, H. Tsunoyama, T. Tsukuda, M. Pettersson, H. Häkkinen, R. D. Kornberg, Electron microscopy of gold nanoparticles at atomic resolution. Science 345, 909-912 (2014).
21. H. Häkkinen, M. Walter, H. Gronbeck, Divide and protect: Capping gold nanoclusters with molecular gold-thiolate rings. J. Phys. Chem. B 110, 9927-9931 (2006).
22. D. E. Jiang, M. Walter, J. Akola, On the structure of a thiolated gold cluster: Au44(SR)28 2-. J. Phys. Chem. C 114, 15883-15889 (2010).
23. O. Lopez-Acevedo, J. Akola, R. L. Whetten, H. Gronbeck, H. Häkkinen, Structure and bonding in the ubiquitous icosahedral metallic gold cluster Au144(SR)60. J. Phys. Chem. C 113, 5035-5038 (2009).
24. D. E. Jiang, R. L. Whetten, W. D. Luo, S. Dai, The smallest thiolated gold superatom complexes. J. Phys. Chem. C 113, 17291-17295 (2009).
25. A. Tlahuice, I. L. Garzon, On the structure of the Au18(SR)14 cluster. Phys. Chem. Chem. Phys. 14, 3737-3740 (2012).
26. Y. Pei, Y. Gao, X. C. Zeng, Structural prediction of thiolate-protected Au38: A face-fused biicosahedral Au core. J. Am. Chem. Soc. 130, 7830-7832 (2008).
27. Y. Pei, Y. Gao, N. Shao, X. C. Zeng, Thiolate-protected Au20(SR)16 cluster: Prolate Au8 core with new [Au3(SR)4] staple motif. J. Am. Chem. Soc. 131, 13619-13621 (2009).
28. Y. Pei, R. Pal, C. Liu, Y. Gao, Z. Zhang, X. C. Zeng, Interlocked catenane-like structure predicted in Au24(SR)20: Implication to structural evolution of thiolated gold clusters from homoleptic gold(I) thiolates to core-stacked nanoparticles. J. Am. Chem. Soc. 134, 3015-3024 (2012).
29. D. E. Jiang, Staple Fitness: A concept to understand and predict the structures of thiolated gold nanoclusters. Chemistry 17, 12289-12293 (2011).
30. B. Delley, An all-electron numerical method for solving the local density functional for polyatomic molecules. J. Chem. Phys. 92, 508-517 (1990).
31. B. Delley, From molecules to solids with the DMol3 approach. J. Chem. Phys. 113, 7756-7764 (2000). Dmol3 is available from Biovia.
32. J. P. Perdew, K. Burke, M. Ernzerhof, Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865-3868 (1996).
33. T. A. Halgren, W. N. Lipscomb, The synchronous-transit method for determining reaction pathways and locating molecular transition states. Chem. Phys. Lett. 49, 225-232 (1977).
34. C. Y. Peng, H. B. Schlegel, Combining synchronous transit and quasi-Newton methods for finding transition states. Isr. J. Chem. 33, 449-454 (1993).
35. C. L. Cleveland, W. D. Luedtke, U. Landman, Melting of gold clusters. Phys. Rev. B 60, 5065-5077 (1999).
36. O. Lopez-Acevedo, K. A. Kacprzak, J. Akola, H. Häkkinen, Quantum size effects in ambient CO oxidation catalysed by ligand-protected gold clusters. Nat. Chem. 2, 329-334 (2010).
37. Z. Wu, D. Jiang, A. K. P. Mann, D. R. Mullins, Z. Qiao, L. F. Allard, C. Zeng, R. Jin, S. H. Overbury, Thiolate ligands as a double-edged sword for CO oxidation on CeO2 supported Au25(SCH2CH2Ph)18 nanoclusters. J. Am. Chem. Soc. 136, 6111-6122 (2014).
38. H. Li, L. Li, A. Pedersen, Y. Gao, N. Khetrapal, H. Jónsson, X. C. Zeng, Magic-number gold nanoclusters with diameters from 1 to 3.5 nm: Relative stability and catalytic activity for CO oxidation. Nano Lett. 15, 682-688(2015).
39. Y. Gao, N. Shao, Y. Pei, Z. Chen, X. C. Zeng, Catalytic activities of subnanometer gold clusters (Au16-Au18, Au20, and Au27-Au35) for CO oxidation. ACS Nano 5, 7818-7829 (2011).
40. C. Liu, Y. Tan, S. Lin, H. Li, X. Wu, L. Li, Y. Pei, X. C. Zeng, CO self-promoting oxidation on nanosized gold clusters: Triangular Au3 active site and CO induced O-O scission. J. Am. Chem. Soc. 135, 2583-2595 (2013).