A computational and experimental study of anhydrous phosphotungstic acid and its interaction with water molecules

Applied Catalysis A: General

Volumn 256, Issue 1-2, 2003, Pages 51-68

  Janik, Michael J ^a   Campbell, Kimberly A ^a   Bardin, Billy B ^b   Davis, Robert J ^a   Neurock, Matthew ^a  

^a University of Virginia   (United States)

^b DOW CHEMICAL COMPANY   (United States)

Author keywords

Acid catalyst; Ammonia microcalorimetry; Density functional theory; DFT; Heteropolyacid; In situ FT IR spectroscopy; Keggin; Phosphotungstic; Proton affinity; Tungsten; Water microcalorimetry

Indexed keywords

CALORIMETRY; FOURIER TRANSFORM INFRARED SPECTROSCOPY; HIGH TEMPERATURE EFFECTS; HYDRATION; MOLECULAR VIBRATIONS; PROBABILITY DENSITY FUNCTION; SORPTION;

QUANTUM CHEMICAL CALCULATIONS;

ORGANIC ACIDS;

EID: 0345328713     PISSN: 0926860X     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0926-860X(03)00388-0     Document Type: Article

References (48)

1. Kozhevnikov I.V. Russ. Chem. Rev. 56:1987;811.
2. Okuhara T., Mizuno N., Misono M. Adv. Catal. 41:1996;113.
3. Misono M. C.R. Acad. Sci. Paris, Ser.IIc: Chim./Chem. 3:2000;471.
4. M. Misono, Chem. Commun. (2001) 1141.
5. Tanabe K., Holderich W.F. Appl. Catal. A. 181:1999;399.
6. Hommeltoft S.I. Appl. Catal. A. 221:2001;421.
7. Sheldon R.A., Downing R.S. Appl. Catal. A. 189:1999;163.
8. Misono M., Nojiri N. Appl. Catal. 64:1990;1.
9. M.T. Pope, Heteropoly and Isopoly Oxometalates, Springer-Verlag, New York, 1983.
10. Bardin B.B., Bordawekar S.V., Neurock M., Davis R.J. J. Phys. Chem. B. 102:1998;10817.
11. Brown G.M., Noe-Spirlet M.R., Busing W.R., Levy H.A. Acta Cryst. B33:1977;1038.
12. Bardin B.B., Davis R.J. Appl. Catal. A. 200:2000;219.
13. Kozhevnikov I.V., Holmes S., Siddiqui M.R.H. Appl. Catal. A. 214:2001;47.
14. Kozhevnikov I.V., Sinnema A., van Bekkum H. Catal. Lett. 34:1995;213.
15. Lee K.Y., Mizuno N., Okuhara T., Misono M. Bull. Chem. Soc. Jpn. 62:1989;1731.
16. Essayem N., Holmqvist A., Gayraud P.Y., Vedrine J.C., Taarit Y.B. J. Catal. 197:2001;273.
17. Ganapathy S., Fournier M., Paul J.F., Delevoye L., Guelton M., Amoureux J.P. J. Am. Chem. Soc. 124:2002;7821.
18. Lopez X., Bo C., Poblet J.M. J. Am. Chem. Soc. 124:2002;12574.
19. Payne M.C., Teter M.P., Allan D.C., Arias T.A., Joannopoulos J.D. Rev. Mod. Phys. 64:1992;1045.
20. Vanderbilt D. Phys. Rev. B. 41:1990;7892.
21. Perdew J.P., Chevary J.A., Vosko S.H., Jackson K.A., Pederson M.R., Singh D.J., Fiolhais C. Phys. Rev. B. 46:1992;6671.
22. Makov G., Payne M.C. Phys. Rev. B. 51:1995;4014.
23. Neugebauer J., Scheffler M. Phys. Rev. B. 46:1992;16067.
24. Monkhorst H.J., Pack J.D. Phys. Rev. B. 13:1976;5188.
25. ADF2002.01, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands.
26. 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. 22:2001;931.
27. Fonseca Guerra C., Snijders J.G., te Velde G., Baerends E.J. Theor. Chem. Acc. 99:1998;391.
28. Vosko S.H., Wilk L., Nusair M. Can. J. Phys. 58:1980;1200.
29. Becke A.D. Phys. Rev. A. 38:1988;3098.
30. Perdew J.P. Phys. Rev. B. 33:1986;8822.
31. Fan L., Ziegler T. J. Chem. Phys. 96:1992;9005.
32. Fan L., Ziegler T. J. Am. Chem. Soc. 114:1992;10890.
33. Keister J.W., Riley J.S., Baer T. J. Am. Chem. Soc. 115:1993;12613.
34. Parillo D.J., Gorte R.J. Catal. Lett. 16:1992;17.
35. Bordawekar S.V., Doskocil E.J., Davis R.J. Langmuir. 14:1998;1734.
36. Bardin B.B., Davis R.J. Topics Catal. 6:1998;77.
37. Essayem N., Coudurier G., Fournier M., Vedrine J.C. Catal. Lett. 34:1995;223.
38. Rocchiccioli-Deltcheff C., Fournier M., Franck R., Thouvenot R. Inorg. Chem. 22:1983;207.
39. Paze C., Bordiga S., Zecchina A. Langmuir. 16:2000;8139.
40. Koyano G., Saito T., Hashimoto M., Misono M. Stud. Surf. Sci. Catal. 130:2000;3077.
41. Bielanski A., Malecka A., Kubelkova L. J. Chem. Soc., Faraday Trans. I. 85:1989;2847.
42. Bielanski A., Datka J., Gil B., Malecka-Lubanska A., Micek-Ilnicka A. Catal. Lett. 57:1999;61.
43. Kapustin G.I., Brueva T.R., Klyachko A.L., Timofeeva M.N., Kulikov S.M., Kozhevnikov I.V. Kinet. Catal. 31:1990;896.
44. Jozefowicz L.C., Karge H.G., Vasilyeva E., Moffat J.B. Microporous Mater. 1:1993;313.
45. Uchida S., Inumaru K., Misono M. J. Phys. Chem. B. 104:2000;8108.
46. Highfield J.G., Moffat J.B. J. Catal. 88:1984;177.
47. Moffat J.B. J. Mol. Catal. 26:1984;385.
48. Essayem N., Tong Y.Y., Jobic H., Vedrine J.C. Appl. Catal. A. 194-195:2000;109.