Formyloxyl radical-gold nanoparticle binding: A theoretical study

Journal of Physical Chemistry A

Volumn 116, Issue 22, 2012, Pages 5445-5452

  Hull, Jacob M ^a   Provorse, Makenzie R ^a   Aikens, Christine M ^a  

^a KANSAS STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; CAPPING AGENT; CITRATE REDUCTION; DENSITY FUNCTIONAL THEORIES (DFT); GOLD ATOMS; GOLD NANOPARTICLES; GOLD SALTS; GOLD STRUCTURES; OXIDIZED GOLD; RADICAL INTERACTIONS; THEORETICAL STUDY;

BINDING ENERGY; CARBOXYLATION; DENSITY FUNCTIONAL THEORY; GOLD;

METAL NANOPARTICLES;

FORMIC ACID DERIVATIVE; FREE RADICAL; GOLD; LIGAND; METAL NANOPARTICLE;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; QUANTUM THEORY; THERMODYNAMICS;

BINDING SITES; COMPUTER SIMULATION; FORMIC ACIDS; FREE RADICALS; GOLD; LIGANDS; METAL NANOPARTICLES; MODELS, MOLECULAR; QUANTUM THEORY; THERMODYNAMICS;

EID: 84861896241     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp212284w     Document Type: Article

References (43)

1. Chen, Y.-S.; Hung, Y.-C.; Liau, I.; Huang, G. Nanoscale Res. Lett. 2009, 4, 858-864
2. Connor, E. E.; Mwamuka, J.; Gole, A.; Murphy, C. J.; Wyatt, M. D. Small 2005, 1, 325-327
3. Hauck, T. S.; Ghazani, A. A.; Chan, W. C. W. Small 2008, 4, 153-159
4. Paciotti, G. F.; Kingston, D. G. I.; Tamarkin, L. Drug Dev. Res. 2006, 67, 47-54
5. Brown, S. D.; Nativo, P.; Smith, J.-A.; Stirling, D.; Edwards, P. R.; Venugopal, B.; Flint, D. J.; Plumb, J. A.; Graham, D.; Wheate, N. J. J. Am. Chem. Soc. 2010, 132, 4678-4684
6. Bhattacharyya, S.; Bhattacharya, R.; Curley, S.; McNiven, M. A.; Mukherjee, P. Proc. Natl. Acad. Sci. U.S.A. 2010, 107, 14541-14546
7. Tkachenko, A. G.; Xie, H.; Coleman, D.; Glomm, W.; Ryan, J.; Anderson, M. F.; Franzen, S.; Feldheim, D. L. J. Am. Chem. Soc. 2003, 125, 4700-4701
8. Oh, E.; Delehanty, J. B.; Sapsford, K. E.; Susumu, K.; Goswami, R.; Blanco-Canosa, J. B.; Dawson, P. E.; Granek, J.; Shoff, M.; Zhang, Q. ACS Nano 2011, 6434-6448
9. Kang, B.; Mackey, M. A.; El-Sayed, M. A. J. Am. Chem. Soc. 2010, 132, 1517-1519
10. He, H.; Xie, C.; Ren, J. Anal. Chem. 2008, 80, 5951-5957
11. Xu, X.-H. N.; Chen, J.; Jeffers, R. B.; Kyriacou, S. Nano Lett. 2002, 2, 175-182
12. Sokolov, K.; Follen, M.; Aaron, J.; Pavlova, I.; Malpica, A.; Lotan, R.; Richards-Kortum, R. Cancer Res. 2003, 63, 1999-2004
13. Loo, C.; Lowery, A.; Halas, N.; West, J.; Drezek, R. Nano Lett. 2005, 5, 709-711
14. Huang, X.; El-Sayed, I. H.; Qian, W.; El-Sayed, M. A. J. Am. Chem. Soc. 2006, 128, 2115-2120
15. Van de Broek, B.; Devoogdt, N.; D'Hollander, A.; Gijs, H.-L.; Jans, K.; Lagae, L.; Muyldermans, S.; Maes, G.; Borghs, G. ACS Nano 2011, 5, 4319-4328
16. Conte, M.; Carley, A. F.; Attard, G.; Herzing, A. A.; Kiely, C. J.; Hutchings, G. J. J. Catal. 2008, 257, 190-198
17. Tseng, C.-H.; Yang, T. C. K.; Wu, H.-E.; Chiang, H.-C. J. Hazard. Mater. 2009, 166, 686-694
18. Lopez, N.; Janssens, T. V. W.; Clausen, B. S.; Xu, Y.; Mavrikakis, M.; Bligaard, T.; Norskov, J. K. J. Catal. 2004, 223, 232-235
19. Schwank, J.; Galvagno, S.; Parravano, G. J. Catal. 1980, 63, 415-424
20. Ueda, A.; Haruta, M. Gold Bull. 1999, 32, 3-11
21. Andreeva, D.; Tabakova, T.; Idakiev, V.; Christov, P.; Giovanoli, R. Appl. Catal., A 1998, 169, 9-14
22. Lee, S.-Y.; Yamada, M.; Miyake, M. Carbon 2005, 43, 2654-2663
23. Chen, Q.-B.; Lai-tao, L.; Yang, X. Indian J. Chem. 2008, 47A, 1317-1322
24. Faraday, M. Philos. Trans. 1857, 147, 145-181
25. Turkevich, J.; Stevenson, P. C.; Hillier, J. Discuss. Faraday Soc. 1951, 11, 55-75
26. He, Y. Q.; Liu, S. P.; Kong, L.; Liu, Z. F. Spectrochim. Acta, Part A 2005, 61, 2861-2866
27. Kimling, J.; Maier, M.; Okenve, B.; Kotaidis, V.; Ballot, H.; Plech, A. J. Phys. Chem. A 2006, 110, 15700-15707
28. Kumar, S.; Gandhi, K. S.; Kumar, R. Ind. Eng. Chem. Res. 2007, 46, 3128-3136
29. Tang, B.; Tao, J.; Xu, S.; Wang, J.; Hurren, C.; Xu, W.; Sun, L.; Wang, X. Chem. Eng. J. 2011, 172, 601-607
30. Li, G.; Lauer, M.; Schulz, A.; Boettcher, C.; Li, F.; Fuhrhop, J. H. Langmuir 2003, 19, 6483-6491
31. Kasthuri, J.; Rajendiran, N. Colloids Surf., B 2009, 73, 387-393
32. Iosin, M.; Baldeck, P.; Astilean, S. J. Nanopart. Res. 2010, 12, 2843-2849
33. Provorse, M. R.; Aikens, C. M. Comput. Theor. Chem. 2012, 987, 16-21
34. Delgado, J. M.; Blanco, R.; Perez, J. M.; Orts, J. M.; Rodes, A. J. Phys. Chem. C 2010, 114, 12554-12564
35. Uznanski, P.; Bryszewska, E. J. Mater. Sci. 2010, 45, 1547-1552
36. Li, J.; Li, X.; Zhai, H.-J.; Wang, L.-S. Science 2003, 299, 864-867
37. Østergaard, H.; Tachibana, C.; Winther, J. R. J. Cell Biol. 2004, 166, 337-345
38. te Velde, G.; Bickelhaupt, F. M.; Baerends, E. J.; Fonseca Guerra, C.; van Gisbergen, S. J. A.; Snijders, J. G.; Ziegler, T. J. Comput. Chem. 2001, 22, 931-967
39. Perdew, J. P. Phys. Rev. B 1986, 33, 8822-8824
40. Becke, A. D. Phys. Rev. A 1988, 38, 3098-3100
41. Lenthe, E. V.; Baerends, E. J.; Snijders, J. G. J. Chem. Phys. 1993, 99, 4597
42. Bode, B. M.; Gordon, M. S. J. Mol. Graphics Modell. 1998, 16, 133-138
43. de Heer, W. A. Rev. Mod. Phys. 1993, 65, 611-676