X-ray diffraction and computation yield the structure of alkanethiols on gold(111)

Science

Volumn 321, Issue 5891, 2008, Pages 943-946

  Cossaro, A ^a   Mazzarello, R ^b   Rousseau, R ^b,h   Casalis, L ^c   Verdini, A ^a   Kohlmeyer, A ^d   Floreano, L ^a   Scandolo, S ^e   Morgante, A ^a,f   Klein, M L ^d   Scoles, G ^b,c,g  

^a LABORATORIO TASC   (Italy)

^b SISSA   (Italy)

^c SINCROTRONE TRIESTE   (Italy)

^d UNIVERSITY OF PENNSYLVANIA   (United States)

^e DEMOCRITOS NATIONAL SIMULATION CENTER   (Italy)

^f UNIVERSITY OF TRIESTE   (Italy)

^g PRINCETON UNIVERSITY   (United States)

^h PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALKANETHIOL; ALKYL GROUP; GOLD; HEXANETHIOL; METHYLTHIOL; SULFUR; THIOL DERIVATIVE;

CHEMICAL BINDING; GOLD; MOLECULAR ANALYSIS; SULFIDE (ORGANIC); SULFUR; X-RAY DIFFRACTION;

ARTICLE; ATOM; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; MOLECULAR DYNAMICS; PRIORITY JOURNAL; SELF ASSEMBLED MONOLAYER; SIMULATION; SURFACE PROPERTY; X RAY DIFFRACTION;

EID: 49649109059     PISSN: 00368075     EISSN: 10959203     Source Type: Journal    
DOI: 10.1126/science.1158532     Document Type: Article

References (30)

1. A. Ulman, Chem. Rev. 96, 1533 (1996).
2. F. Schreiber, Prog. Surf. Sci. 65, 151 (2000).
3. J. C. Love et al., Chem. Rev. 105, 1103 (2005).
4. P. Maksymovych et al., Phys. Rev. Lett. 97, 146103 (2006).
5. R. Mazzarello et al., Phys. Rev. Lett. 98, 016102 (2007).
6. H. Hakkinen et al., J. Phys. Chem. B 110, 9927 (2006).
7. M. Yu et al., Phys. Rev. Lett. 97, 166102 (2006).
8. A. Nagoya et al., J. Phys. Cond. Matter 19, 365245 (2007).
9. H. Grönbeck et al., J. Phys. Chem. B 111, 3325 (2007).
10. P. D. Jadzinsky et al., Science 318, 430 (2007).
11. R. L. Whetten, R. C. Price, Science 318, 407 (2007).
12. The conventionally termed c(4x2) corresponds to a c(2√3 x 4√3), whose primitive cell is (2√3 x3).
13. R. G. Nuzzo et al., J. Chem. Phys. 93, 767 (1990).
14. N. Camillone et al., J. Chem. Phys. 98, 3503 (1993).
15. P. Fenter, A. Eberhardt, P. Eisenberger, Science 266, 1216 (1994).
16. D. Anselmetti et al., Europhys. Lett. 27, 365 (1994).
17. X. Torrelles et al., J. Phys. Chem. B 110, 5586 (2006).
18. C. Vericat et al., J. Phys. Cond. Matter 18, R867 (2006).
19. X. Torrelles et al., Langmuir 20, 9396 (2004).
20. M. C. Gerstenberg et al., Phys. Rev. B 61, 7678 (2000).
21. M. Prato et al., J. Phys. Chem. C 112, 3899 (2008).
22. J. G. Wang et al., J. Phys. Chem. C 111, 12149 (2007).
23. D. J. Lavrich et al., J. Phys. Chem. B 102, 3456 (1998).
24. M. C. Vargas et al., J. Phys. Chem. B 105, 9509 (2001).
25. G. E. Poirier, Langmuir 15, 1167 (1999).
26. A. Riposan et al., J. Phys. Chem. B 110, 23926 (2006).
27. In our structural determination, the distance of the Au adatoms from a Au(111) crystal plane is an integer multiple of the Au lattice constant, consistent with the Au coherent fraction of the x-ray standing wave measured in (29).
28. J. Ulrich et al., J. Phys. Chem. B 110, 2462 (2006).
29. P. Fenter et al., Surf. Sci. 412-413, 213 (1998).
30. We thank INFM's Parallel Computing Initiative and the San Diego Supercomputing Center (SDSC) for CPU time, and M. Tatineni at SDSC for help with getting early access to new TeraGrid resources. Supported by Ministero dell'Università e della Ricerca PRIN 2006020543 and FIRB NOMADE and by NSF grant CHE-0626354.