Experimental and theoretical study of CO collisions with CH3- and CF3-terminated self-assembled monolayers

Journal of Chemical Physics

Volumn 130, Issue 8, 2009, Pages

  Alexander, William A ^a   Morris, John R ^a   Troya, Diego ^a  

^a VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON MONOXIDE; ENERGY TRANSFER; POTENTIAL ENERGY;

AB-INITIO CALCULATIONS; ALKANETHIOL; CO MOLECULES; CO ROTATIONS; COLLISION ENERGIES; DYNAMICAL BEHAVIORS; INCIDENT ANGLES; ORGANIC SURFACES; POTENTIAL-ENERGY SURFACES; SCATTERING PROCESS; STATE ENERGIES; SURFACE COLLISIONS; THEORETICAL STUDIES; TIME-OF-FLIGHT DISTRIBUTIONS; TRAJECTORY SIMULATIONS; TRANSFER PROPERTIES; TRANSLATIONAL ENERGIES; TRANSLATIONAL ENERGY DISTRIBUTIONS;

SELF ASSEMBLED MONOLAYERS;

EID: 61449226531     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3072012     Document Type: Article

References (62)

1. M. E. King, G. M. Nathanson, M. A. Hanning-Lee, and T. K. Minton, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.70.1026 70, 1026 (1993).
2. M. E. Saecker, S. T. Govoni, D. V. Kowalski, M. E. King, and G. M. Nathanson, Science 0036-8075 10.1126/science.252.5011.1421 252, 1421 (1991).
3. M. E. Saecker and G. M. Nathanson, J. Chem. Phys. 0021-9606 10.1063/1.465425 99, 7056 (1993).
4. M. E. Saecker and G. M. Nathanson, J. Chem. Phys. 0021-9606 10.1063/1.466333 100, 3999 (1994).
5. A. J. Kenyon, A. J. McCaffery, C. M. Quintella, and M. D. Zidan, J. Chem. Soc., Faraday Trans. 0956-5000 10.1039/ft9938903877 89, 3877 (1993).
6. A. J. Kenyon, A. J. McCaffery, C. M. Quintella, and M. D. Zidan, Faraday Discuss. 0301-7249 10.1039/fd9939600245 96, 245 (1993 b).
7. B. G. Perkins, Jr., T. Haber, and D. J. Nesbitt, J. Phys. Chem. B 1089-5647 10.1021/jp0511404 109, 16396 (2005).
8. B. G. Perkins, Jr. and D. J. Nesbitt, J. Phys. Chem. B 1089-5647 10.1021/jp060980v 110, 17126 (2006).
9. B. G. Perkins, Jr. and D. J. Nesbitt, J. Phys. Chem. A 1089-5639 10.1021/jp0709048 111, 7420 (2007).
10. B. G. Perkins, Jr. and D. J. Nesbitt, J. Phys. Chem. B 1089-5647 10.1021/jp077488b 112, 507 (2008).
11. B. G. Perkins, Jr. and D. J. Nesbitt, Proc. Natl. Acad. Sci. U.S.A. 0027-8424 10.1073/pnas.0800401105 105, 12684 (2008).
12. P. A. J. Bagot, C. Waring, M. L. Costen, and K. G. McKendrick, J. Phys. Chem. C 112, 10868 (2008). 1932-7447
13. B. S. Day and J. R. Morris, J. Phys. Chem. B 1089-5647 10.1021/jp034349v 107, 7120 (2003).
14. B. S. Day, S. F. Shuler, A. Ducre, and J. R. Morris, J. Chem. Phys. 0021-9606 10.1063/1.1609971 119, 8084 (2003).
15. M. E. Bennett, W. A. Alexander, J. W. Lu, D. Troya, and J. R. Morris, J. Phys. Chem. C 112, 17272 (2008). 1932-7447
16. M. K. Ferguson, J. R. Lohr, B. S. Day, and J. R. Morris, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.92.073201 92, 073201 (2004).
17. B. S. Day and J. R. Morris, J. Chem. Phys. 0021-9606 10.1063/1.1924693 122, 234714 (2005).
18. W. A. Alexander, B. S. Day, H. J. Moore, T. R. Lee, J. R. Morris, and D. Troya, J. Chem. Phys. 0021-9606 10.1063/1.2815327 128, 014713 (2008).
19. S. A. Vazquez, J. R. Morris, A. Rahaman, O. A. Mazyar, G. Vayner, S. V. Addepalli, W. L. Hase, and E. Martinez-Nunez, J. Phys. Chem. A 1089-5639 10.1021/jp076431m 111, 12785 (2007).
20. T. -Y. Yan and W. L. Hase, Phys. Chem. Chem. Phys. 1463-9076 10.1039/a908370g 2, 901 (2000).
21. T. -Y. Yan and W. L. Hase, J. Phys. Chem. B 1089-5647 10.1021/jp025902w 106, 8029 (2002).
22. T. -Y. Yan, N. Isa, K. D. Gibson, S. J. Sibener, and W. L. Hase, J. Phys. Chem. A 1089-5639 10.1021/jp035115e 107, 10600 (2003).
23. T. -Y. Yan, W. L. Hase, and J. R. Barker, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(00)00993-3 329, 84 (2000).
24. N. Isa, K. D. Gibson, T.-Y. Yan, W. L. Hase, and S. J. Sibener, J. Chem. Phys. 0021-9606 10.1063/1.1635805 120, 2417 (2004).
25. S. B. M. Bosio and W. L. Hase, J. Chem. Phys. 0021-9606 10.1063/1.475263 107, 9677 (1997).
26. K. D. Gibson, N. Isa, and S. J. Sibener, J. Chem. Phys. 0021-9606 10.1063/1.1628672 119, 13083 (2003).
27. B. S. Day, J. R. Morris, and D. Troya, J. Chem. Phys. 0021-9606 10.1063/1.1924543 122, 214712 (2005).
28. B. S. Day, J. R. Morris, W. A. Alexander, and D. Troya, J. Phys. Chem. A 1089-5639 10.1021/jp054043j 110, 1319 (2006).
29. K. D. Gibson, N. Isa, and S. J. Sibener, J. Phys. Chem. A 1089-5639 10.1021/jp055171a 110, 1469 (2006).
30. U. Tasic and D. Troya, Phys. Chem. Chem. Phys. 1463-9076 10.1039/b808011a 10, 5776 (2008).
31. U. Tasic, B. S. Day, T. -Y. Yan, J. R. Morris, and W. L. Hase, J. Phys. Chem. C 112, 476 (2008). 1932-7447
32. S. R. Cohen, R. Naaman, and J. Sagiv, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.58.1208 58, 1208 (1987).
33. S. R. Cohen, R. Naaman, and J. Sagiv, J. Chem. Phys. 0021-9606 10.1063/1.454006 88, 2757 (1988).
34. E. Martinez-Nunez, A. Rahaman, and W. L. Hase, J. Phys. Chem. C 1932-7447 10.1021/jp064291v 111, 354 (2007).
35. M. Graupe, T. Koini, V. Y. Wang, G. M. Nassif, R. Colorado, Jr., R. J. Villazana, H. Dong, Y. F. Miura, O. E. Shmakova, and T. R. Lee, J. Fluorine Chem. 0022-1139 10.1016/S0022-1139(98)00284-X 93, 107 (1999).
36. M. Graupe, M. Takenaga, T. Koini, R. Colorado, Jr., and T. R. Lee, J. Am. Chem. Soc. 0002-7863 10.1021/ja983582h 121, 3222 (1999).
37. J. E. Houston, C. M. Doelling, T. K. Vanderlick, Y. Hu, G. Scoles, I. Wenzl, and T. R. Lee, Langmuir 0743-7463 10.1021/la046901t 21, 3926 (2005).
38. D. M. Alloway, M. Hofmann, D. L. Smith, N. E. Gruhn, A. L. Graham, R. Colorado, Jr., V. H. Wysocki, T. R. Lee, P. A. Lee, and N. R. Armstrong, J. Phys. Chem. B 1089-5647 10.1021/jp034665+ 107, 11690 (2003).
39. D. L. Smith, V. H. Wysocki, R. Colorado, Jr., O. E. Shmakova, M. Graupe, and T. R. Lee, Langmuir 0743-7463 10.1021/la010998r 18, 3895 (2002).
40. W. L. Jorgensen, J. D. Madura, and C. J. Swenson, J. Am. Chem. Soc. 0002-7863 10.1021/ja00334a030 106, 6638 (1984).
41. W. L. Jorgensen and J. Tirado-Rives, J. Am. Chem. Soc. 0002-7863 10.1021/ja9621760 118, 11225 (1996).
42. E. K. Watkins and W. L. Jorgensen, J. Phys. Chem. A 1089-5639 10.1021/jp004071w 105, 4118 (2001).
43. J. Hautman and M. L. Klein, J. Chem. Phys. 0021-9606 10.1063/1.457621 91, 4994 (1989).
44. See: http://webbook.nist.gov/chemistry.
45. A. LeFloch, Mol. Phys. 0026-8976 10.1080/00268979100100081 72, 133 (1991).
46. W. A. Alexander and D. Troya, J. Phys. Chem. A 1089-5639 10.1021/jp063398f 110, 10834 (2006).
47. T. H. Dunning, Jr., J. Chem. Phys. 0021-9606 10.1063/1.456153 90, 1007 (1989).
48. D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. 0021-9606 10.1063/1.464303 98, 1358 (1993).
49. A. K. Wilson, D. E. Woon, K. A. Peterson, and T. H. Dunning, Jr., J. Chem. Phys. 0021-9606 10.1063/1.478678 110, 7667 (1999).
50. A. L. L. East and W. D. Allen, J. Chem. Phys. 0021-9606 10.1063/1.466062 99, 4638 (1993).
51. A. G. Csaszar, W. D. Allen, and H. F. Schaefer III, J. Chem. Phys. 0021-9606 10.1063/1.476449 108, 9751 (1998).
52. U. Tasic, P. Hein, and D. Troya, J. Phys. Chem. A 111, 3618 (2007). 1089-5639
53. J. R. Cooper and N. Moazzen-Ahmadi, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2007.06.129 444, 28 (2007).
54. A. Halkier, T. Helgaker, P. Jorgensen, W. Klopper, H. Koch, J. Olsen, and A. K. Wilson, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(98)00111-0 286, 243 (1998).
55. S. F. Boys and F. Bernardi, Mol. Phys. 0026-8976 10.1080/ 00268977000101561 19, 553 (1970).
56. M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03, Revision C.02, Gaussian, Inc., Wallingford, CT, 2004.
57. W. L. Hase, R. J. Duchovic, X. Hu, A. Komornicki, K. F. Lim, D. h. Lu, G. H. Peslherbe, K. N. Swamya, S. R. V. Linde, A. Varandas, H. Wang, and R. J. Wolf, Quantum Chemistry Program Exchange Bulletin 16, 671 (1996).
58. J. W. Ponder and F. M. Richards, J. Comput. Chem. 0192-8651 10.1002/jcc.540080710 8, 1016 (1987).
59. D. R. Miller, in Atomic and Molecular Beam Methods, edited by, G. Scoles, (Oxford University Press, New York, 1988), Vol. 1, p. 14.
60. J. R. Lohr, B. S. Day, and J. R. Morris, J. Phys. Chem. B 1089-5647 10.1021/jp051733e 109, 15469 (2005).
61. J. R. Lohr, B. S. Day, and J. R. Morris, J. Phys. Chem. A 1089-5639 10.1021/jp0542625 110, 1645 (2006).
62. A. Bondi, J. Phys. Chem. 0022-3654 10.1021/j100785a001 68, 441 (1964).