Fundamental, binary combination, and overtone modes in methoxy adsorbed on Cu(100): Infrared spectroscopy and ab initio calculations

Journal of Physical Chemistry B

Volumn 106, Issue 20, 2002, Pages 5200-5211

  Andersson, M P ^a   Uvdal, Per ^a   Mackerell Jr , A D ^b  

^a LUND UNIVERSITY   (Sweden)

^b UNIVERSITY OF MARYLAND SCHOOL OF PHARMACY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

INTRAMOLECULAR ANHARMONIC COUPLING;

ADSORPTION; COPPER; INFRARED SPECTROSCOPY; OPTICAL FILTERS;

SURFACE REACTIONS;

EID: 0037162191     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp012939s     Document Type: Article

References (30)

1. Ryberg, R. Phys. Rev. B. 1985, 31, 2545-7.
2. Sim, W.S.; Gardner, P.; King, D.A. J. Phys. Chem. 1995, 99, 16002-16010.
3. Chesters, M.A.; McCash, E.M. Spectrochim. Acta 1987, 43A, 1625.
4. Uvdal, P.; Weldon, M.K.; Friend, C.M. Phys. Rev. B (Rapid Commun.) 1994, 50, 12258.
5. Dastoor, H.E.; Gardner, P.; King, D.A. Chem. Phys. Lett. 1993, 209, 493-498.
6. Huberty, J.S.; Madix, R.J. Surf. Sci. 1996, 360, 144.
7. Asmundsson, R.; Uvdal, P. Unpublished work.
8. Dastoor, H.E.; Gardner, P.; King, D.A. Chem. Phys. Lett. 1993, 209, 493.
9. Zenobi, R.; Xu, J.; Yates, J.T.; Persson, B.N.J.; Volokitin, A.I. Chem. Phys. Lett. 1993, 208, 414.
10. Jayasooriya, U.A.; Anson, C.E.; Al-Jowder, O.; Alfonso, G.D.; Stanghellini, P.L.; Rossetti, R. Surf. Sci. 1993, 294, 131.
11. Camplin, J.P.; McCash, E.M. Surf. Sci. 1996, 360, 229-241.
12. Mudalige, K.; Warren, S.; Trenary, M. J. Phys. Chem. B 2000, 104, 2448.
13. Mudalige, K.; Trenary, M. J. Phys. Chem. B 2001, 105, 3823.
14. Asmundsson, R.; Uvdal, P. J. Chem. Phys. 2000, 112, 366.
15. Giguere, J.; Overned, J. Spectrochim. Acta 1976, 32A, 241.
16. Ryberg, R. J. Chem. Phys. 1985, 82, 567-73.
17. Frisch, M.J.; Trucks, G.W.; Schlegel, H.B.; Scuseria, G.E.; Robb, M.A.; Cheeseman, J.R.; Zakrzewski, V.G.; Montgomery, J.A., Jr.; Stratmann, R.E.; Burant, J.C.; Dapprich, S.; Millam, J.M.; Daniels, A.D.; Kudin, K.N.; Strain, M.C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G.A.; Ayala, P.Y.; Cui, Q.; Morokuma, K.; Malick, D.K.; Rabuck, A.D.; Raghavachari, K.; Foresman, J.B.; Cioslowski, J.; Ortiz, J.V.; Stefanov, B.B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R.L.; Fox, D.J.; Keith, T.; Al-Laham, M.A.; Peng, C.Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P.M.W.; Johnson, B.G.; Chen, W.; Wong, M.W.; Andres, J.L.; Head-Gordon, M.; Replogle, E.S.; Pople, J.A. Gaussian 98; revision A.9; Gaussian, Inc.: Pittsburgh, PA, 1998.
18. Uvdal, P.; MacKerell, A.D., Jr. Surf. Sci. 1997, 393, 141.
19. Carvalho, A.V.d.; Asensio, M.C.; Woodruff, P.D. Surf Sci. 1992, 271, 381.
20. Andersson, M.P.; Uvdal, P., manuscript in preparation.
21. Kuczera, K.; Wiorkiewicz-Kuczera, J.; Karplus, M. MOLVIB program is a module in CHARMM, Copyright 1984-2001; President and Fellows of Harvard College: Cambridge, MA, 1998. All Rights Reserved.
22. Aberhart, J. Private communication.
23. Head, J.D.; Shi, Y. Int. J. Quantum Chem. 1999, 75, 815.
24. Andersson, M.P.; Uvdal, P., manuscript in preparation.
25. Silva, S.L.; Patel, A.A.; Pha, T.M.; Leibsle, F.M. Surf. Sci. 1999, 441, 351.
26. Jakob, P.; Persson, B.N.J. J. Chem. Phys. 1998, 109, 8641.
27. Uvdal, P.; Weldon, M.K.; Friend, C.M. Phys. Rev. B 1996, 53, 5007.
28. Serrallach, A.; Meyer, R.; Günthard, H.H. J. Mol. Spectrosc. 1974, 52, 94.
29. Florián, J.; Johnson, B.G. J. Phys. Chem. 1994, 98, 3681.
30. Herzberg, G. Infrared and Raman Spectra of Polyatomic Molecules; Van Nostrand Reinhold Company, Inc.: New York, 1945; Vol. II.