Anion effects on the adsorption of acetylene by nickel halides

Langmuir

Volumn 15, Issue 22, 1999, Pages 7647-7652

  Huang, Helen Y ^a   Yang, Ralph T ^a   Chen, Ning ^a  

^a UNIVERSITY OF MICHIGAN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CHEMICAL BONDS; COMPOSITION EFFECTS; COMPUTATIONAL METHODS; ELECTRON ENERGY LEVELS; NEGATIVE IONS; NICKEL COMPOUNDS; OPTIMIZATION;

MOLECULAR ORBITAL METHODS; NATURAL BOND ORBITAL (NBO) THEORY; NICKEL BROMIDE; NICKEL CHLORIDE; NICKEL FLUORIDE; NICKEL IODIDE;

ACETYLENE;

EID: 0033338817     PISSN: 07437463     EISSN: None     Source Type: Journal    
DOI: 10.1021/la981079c     Document Type: Article

References (50)

1. Yang, R. T. In Gas Separation by Adsorption Processes; Butterworth: Boston, 1987; reprinted in paperback, Imperial College Press and World Scientific Press: River Edge, NJ, 1997.
2. Keller, G. E.; Marcinkowsky, A. E.; Verma, S. K.; Williamson, K. D. In Separation and Purification Technology; Li, N. N., Cale, J. M., Eds.; Marcel Dekker: New York, 1992.
3. King, C. J. In Handbook of Separation Process Technology; Rousseau, R. W., Ed.; Wiley: New York, 1987.
4. Yang, R. T.; Kikkinides, E. S. AIChE J. 1996, 41, 509.
5. Cheng, L. S.; Yang, R. T. Adsorption 1995, 1, 61.
6. Wu, Z.; Han, S. S.; Cho, S. H.; Kim, J. N.; Chue, K. T.; Yang, R. T. Ind. Eng. Chem. Res. 1997, 36, 2749.
7. Padin, J.; Yang, R. T. Chem. Eng. Sci. 1999, in press.
8. Rege, S. U.; Padin, J.; Yang, R. T. AIChE J. 1998, 44, 799.
9. Yang, R. T.; Foldes, R. Ind. Eng. Chem. Res. 1996, 35, 1006.
10. Padin, J.; Yang, R. T. Ind. Eng. Chem. Res. 1997, 36, 4224.
11. Chen, J. P.; Yang, R. T. Langmuir 1995, 11, 3450.
12. Sauer, J. Chem. Rev. 1989, 89, 199.
13. Beran, S. Quantum-Chemical Studies of Zeolites. In Theoretical Aspects of Heterogeneous Catalysis; Moffat, J. B., Ed.; van Nostrand Reinhold: New York, 1990.
14. Kobayashi, H.; Yamaguchi, M.; Tanaka, T.; Yoshida, S.J. Chem. Soc., Faraday Trans. 1 1985, 81, 1513.
15. Matthews, P. S. C. In Quantum Chemistry of Atoms and Molecules; Cambridge University Press: Cambridge, UK, 1986.
16. Kassab, E.; Seiti, K.; Allavena, M. J. Phys. Chem. 1988, 92, 6705.
17. Kassab, E.; Fouquet, J.; Allavena, M.; Evleth, E. M. J. Phys. Chem. 1993, 97, 9034.
18. Moffat, J. B., Ed. In Theoretical Aspects of Heterogeneous Catalysis; Van Nostrand Reinhold: New York, 1990.
19. Teunissen, E. H.; van Duijneveldt, F. B.; van Santen, R. A. J. Phys. Chem. 1992, 96, 366.
20. Teunissen, E. H.; van Santen, R. A.; Jansen, A. P. J. J. Phys. Chem. 1993, 97, 203.
21. Brand, H. V.; Curtiss, L. A.; Iton, L. E. J. Phys. Chem. 1993, 97, 12773.
22. Haase, F.; Sauer, J. J. Phys. Chem. 1994, 98, 3083.
23. Haase, F.; Sauer, J. J. Am. Chem. Soc. 1998, 117, 3780.
24. Suzuki, T.; Tamon, H.; Okazaki, M. Chem. Lett. 1994, 2151.
25. Hill, J. R.; Sauer, J. J. Phys. Chem. 1996, 99, 9536.
26. Shah, R.; Payne, M. C.; Lee, M. H.; Gale, J. D. Science 1996, 271, 1395.
27. Frisch, M. J.; et al. (34 names). In Gaussian 94, Revision A.1; Gaussian, Inc.: Pittsburgh, PA, 1995.
28. Chen, N.; Yang, R. T. Ind. Eng. Chem. Res. 1996, 35, 4020.
29. Huang, H. Y., Padin, J.; Yang, R. T. J. Phys. Chem. B 1999, 103, 3206.
30. Hehre, W. J.; Stewart, R. F.; Pople, J. A. J. Chem. Phys. 1969, 51 (6), 2657.
31. Collins, J. B.; Von Schleyer, P. R. J. Chem. Phys. 1976, 64 (12), 5142.
32. Binkley, J. S.; Pople, J. A.; Hehre, W. J. J. Am. Chem. Soc. 1980, 102, 939.
33. Gordon, M. S.; Binkley, J. S.; Pople, J. A.; Pietro, W. J.; Hehre, W. J. J. Am. Chem. Soc. 1982, 104, 2797.
34. Foresman, J. B.; Frisch, A. In Exploring Chemistry with Electronic Structure Methods, 2nd ed.; Gaussian, Inc.: Pittsburgh, PA, 1996.
35. Miralles-Sabater, J.; Merchan, M.; Nebot-Gil, I.; Viruela-Marin, P. M. J. Phys. Chem. 1988, 92, 4853.
36. Ziegler, T. Chem. Rev. 1991, 91, 651.
37. Becke, A. D. J. Chem. Phys. 1993, 98, 1372.
38. Ricca, A.; Bauschlicher, C. W. J. Phys. Chem. 1994, 98, 12899.
39. Barone, V.; Adamo, C. J. Phys. Chem. 1996, 100, 335.
40. Halthausen, M. C.; Heinemann, C.; Cornhl, H. H.; Koch, W.; Schwarz, H. J. Chem. Phys. 1995, 102, 4931.
41. Mulliken, R. S.; Ermler, W. C. Diatomic Molecules: Results of Ab Initio Calculations, Academic Press: New York, 1977; p 33.
42. De Profit, F.; Marin, J. M. L.; Geerling, P. Chem. Phys. Lett. 1996, 250, 393.
43. Luthi, H. P.; Ammeter, J. H.; Almlof, J.; Faegri, K. J. Chem. Phys, 1982, 77, 2002.
44. Collins, B.; Streitwieser, A. J. Comput. Chem. 1980, 1, 81.
45. Reed, A. E.; Weinstock, R. B.; Weinhold, F. J. Chem. Phys. 1985, 83 (2), 735.
46. Glendening, E. D.; Reed, A. E.; Carpenter, J. E.; Weinhold, F. NBO Version 3.1, 1995.
47. Wells, A. F. In Structural Inorganic Chemistry, 5th ed.; Clarendon Press: Oxford, 1984; p 413.
48. Weast, R. C. In Handbook of Chemistry and Physics, 6th ed.; CRC Press: Cleveland, OH, 1987.
49. Dawar, M. J. S. Bull. Soc. Chim. Fr. 1951, 18, C71.
50. Blizzard, A. C.; Santry, D. P. J. Am. Chem. Soc. 1968, 90, 5746.