Transition state for β-hydride elimination in alkyl groups on Pt(111)

Journal of Physical Chemistry B

Volumn 110, Issue 19, 2006, Pages 9660-9666

  Ye, Pingping ^a   Gellman, Andrew J ^a,b  

^a CARNEGIE MELLON UNIVERSITY   (United States)

^b CARNEGIE MELLON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; FLUORINE; HYDRIDES; HYDROGEN; RATE CONSTANTS; UNSATURATED COMPOUNDS;

FLUORINE SUBSTITUTION; PT(111); Β-HYDRIDE ELIMINATION;

PLATINUM;

EID: 33745433056     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp061047v     Document Type: Article

References (28)

1. Chrysostomou, D.; French, C.; Zaera, F. The thermal activation of propyl groups on Pt(111). Catal. Lett. 2000, 69 (3-4), 117-128.
2. Jenks, C. J.; Bent, B. E.; Bernstein, N.; Zaera, F. Chemistry Of 1-iodopropane on Cu(110): formation, bonding, and reactions of adsorbed propyl groups. J. Am. Chem. Soc. 1993, 115 (1), 308-314.
3. Jenks, C. J.; Bent, B. E.; Zaera, F. The chemistry of alkyl iodides on copper surfaces. 2. Influence of surface structure on reactivity. J. Phys. Chem. B 2000, 104 (14), 3017-3027.
4. Li, X.; Gellman, A. J.; Sholl, D. S. Orientation of ethoxy, mono-, di-, and tri-fluoroethoxy on Cu(111): A DFT study. J. Mol. Catal. A: Chem. 2005, 228 (1-2), 77-82.
5. Russell, J. N.; Gates, S. M.; Yates, J. T. Reaction of methanol with O(Ads) on Cu(111) and Cu(111). Surf. Sci. 1985, 163 (2-3), 516-540.
6. Zaera, F. An organometallic guide to the chemistry of hydrocarbon moieties on transition metal surfaces. Chem. Rev. 1995, 95 (8), 2651-2693.
7. Gellman, A. J.; Dai, Q. Mechanism of beta-hydride elimination in adsorbed alkoxides. J. Am. Chem. Soc. 1993, 115 (2), 714-722.
8. Gellman, A. J. Transition states for surface-catalyzed chemistry. Acc. Chem. Res. 2000, 33 (1), 19-26.
9. Gellman, A. J. The transition state in catalytic surface chemistry. Curr. Opin. Solid State Mater. Sci. 2001, 5 (1), 85-90.
10. Gellman, A. J. The influence of catalytic surfaces on the barriers to elementary surface reaction steps. J. Phys. Chem. B 2002, 106 (41), 10509-10517.
11. Forbes, J. G.; Gellman, A. J. The beta-hydride elimination mechanism in adsorbed alkyl-groups. J. Am. Chem. Soc. 1993, 115 (14), 6277-6283.
12. Gellman, A. J.; Buelow, M. T.; Street, S. C.; Morton, T. H. Transition state for beta-elimination of hydrogen from alkoxy groups on metal surfaces. J. Phys. Chem. A 2000, 104 (11), 2476-2485.
13. Li, X.; Gellman, A. J.; Sholl, D. S. Using Beta-hydride elimination to test propositions for characterining surface catalyzed reactions. Surf. Sci. Lett., in press.
14. Zaera, F. Formation and thermal-decomposition of ethyl groups on transition-metal surfaces - ethyl iodide on Pt(111). Surf. Sci. 1989, 219 (3), 453-466.
15. Zaera, F. Study of the surface-chemistry of ethyl groups on Pt-(111) by using partially deuterated ethyl iodide. J. Phys. Chem. 1990, 94 (21), 8350-8355.
16. Scoggins, T. B.; Ihm, H.; White, J. M. The surface chemistry of 1-iodopropane adsorbed on Pt(111). Isr. J. Chem. 1998, 38 (4), 353-363.
17. Bent, B. E. Mimicking aspects of heterogeneous catalysis: Generating, isolating, and reacting proposed surface intermediates on single crystals in a vacuum. Chem. Rev. 1996, 96 (4), 1361-1390.
18. Buelow, M. T.; Gellman, A. J. The transition state for metal-catalyzed dehalogenation: C-I bond cleavage on Ag(111). J. Am. Chem. Soc. 2001, 123 (7), 1440-1448.
19. Buelow, M. T.; Immaraporn, B.; Gellman, A. J. The transition state for surface-catalyzed dehalogenation: C-I cleavage on Pd(111). J. Catal. 2001, 203 (1), 41-50.
20. Buelow, M. T.; Zhou, G.; Gellman, A. J.; Immaraporn, B. The transition state for metal-catalyzed dehalogenation. Catal. Lett. 1999, 59 (1), 9-13.
21. Meyers, J. M.; Gellman, A. The effect of fluorination on the bonding of alkyl ethers to the Al(110) surface. Surf. Sci. 1997, 372 (1-3), 171-178.
22. Meyers, J. M.; Street, S. C.; Thompson, S.; Gellman, A. J. Effect of fluorine on the bonding and orientation of perfluoroalkyl ethers on the Cu(111) surface. Langmuir 1996, 12 (6), 1511-1519.
23. Takeuchi, K.; Salmeron, M.; Somorjai, G. A. The bonding of hydrogenated and fluorinated diethers to Pt(111) and to zirconium-oxide thin-film. Surf. Sci. 1992, 279 (3), 328-340.
24. Hansch, C.; Leo, A.; Taft, R. W. A survey of hammert substituent constants and resonance and field parameters. Chem. Rev. 1991, 91 (2), 165-195.
25. Taft, R. W.; Topsom, R. D. The nature and analysis of substituent electronic effects. Prog. Phys. Org. Chem., 1987, 1.
26. Chan, A. W. E.; Hoffmann, R. From chemisorption to mechanism on surfaces - an exploration of the pyrolysis of triisobutylaluminum in the chemical vapor-deposition of aluminum thin-films. J. Vac. Sci. Technol., A 1991, 9(3), 1569-1580.
27. Greeley, J.; Mavrikakis, M. A first-principles study of methanol decomposition on Pt(111). J. Am. Chem. Soc. 2002, 124 (24), 7193-7201.
28. Greeley, J.; Mavrikakis, M. Methanol decomposition on Cu(111): A DFT study. J. Catal. 2002, 208 (2), 291-300.