Transition from hydrogen bonding to ionization in (HCl)n(NH3)n and (HCl)n(H2O)n clusters: Consequences for anharmonic vibrational spectroscopy

Journal of Physical Chemistry A

Volumn 105, Issue 36, 2001, Pages 8323-8332

  Chaban, Galina M ^a   Gerber, R Benny ^b,c   Janda, Kenneth C ^b  

^a NASA AMES RESEARCH CENTER   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC VIBRATIONAL SPECTROSCOPY;

COMPLEXATION; CORRELATION METHODS; HARMONIC ANALYSIS; HYDROGEN BONDS; INFRARED SPECTROSCOPY; IONIZATION; MOLECULAR VIBRATIONS;

MOLECULAR DYNAMICS;

EID: 0035856085     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp011567k     Document Type: Article

References (44)

1. Scott, A.P.; Radom, L. J. Phys. Chem. 1996, 100, 16502.
2. Chaban, G.M.; Jung, J.-O.; Gerber, R.B. J. Chem. Phys. 1999, 111, 1823.
3. Chaban, G.M.; Jung, J.-O.; Gerber, R.B. J. Phys. Chem. A 2000, 104, 2772.
4. Del Bene, J.E.; Jordan, M.J.T. J. Chem. Phys. 1998, 108, 3205.
5. Jordan, M.J.T.; Del Bene, J.E. J. Am. Chem. Soc. 2000, 122, 2101.
6. Tao, F.-M. J. Chem. Phys. 1999, 110, 11121.
7. Snyder, J.A.; Cazar, R.A.; Jamka, A.J.; Tao, F.-M. J. Phys. Chem. A 1999, 103, 7719.
8. Cazar, R.A.; Jamka, A.J.; Tao, F.-M. J. Phys. Chem. A 1998, 102, 5117.
9. Cherng, B.; Tao, F.-M. J. Chem. Phys. 2001, 114, 1720.
10. Biczysco, M.; Latajka, Z. Chem. Phys. Lett. 1999, 313, 366.
11. Ault, B.S.; Pimentel, G.C. J. Phys. Chem. 1973, 77, 1649.
12. Barnes, A.J.; Beech, T.R.; Mielke, Z. J. Chem. Soc., Faraday Trans. 2 1984, 80, 455.
13. Andrews, L.; Wang, X.; Mielke, Z. J. Am. Chem. Soc. 2001, 123, 1499.
14. Legon, A.C.; Willoughby, L.C. Chem. Phys. Lett. 1983, 95, 449.
15. Kisiel, Z.; Pietrewicz, B.A.; Fowler, P.W.; Legon, A.C.; Steiner, E. J. Phys. Chem. A 2000, 104, 6970.
16. Amirand, C.; Maillard, D. J. Mol. Struct. 1988, 176, 181.
17. Packer, M.J.; Clary, D.C. J. Phys. Chem. 1995, 99, 14323.
18. Re, S.; Osamura, Y.; Suzuki, Y.; Schaefer, H.F., III. J. Chem. Phys. 1998, 109, 973.
19. Bacelo, D.E.; Binning, R.C., Jr.; Ishikawa, Y. J. Phys. Chem. A 1999, 103, 4631.
20. Svanberg, M.; Pettersson, J.B.C.; Bolton, K. J. Phys. Chem. A 2000, 104, 5787.
21. Casassa, S. Chem. Phys. Lett. 1999, 321, 1.
22. Pursell, C.J.; Zaidi, M.; Thompson, A.; Fraser-Gaston, C.; Vela, E. J. Phys. Chem. A 2000, 104, 552.
23. Wang, L.; Clary, D.C. J. Chem. Phys. 1996, 104, 5663.
24. Uras, N.; Rahman, M.; Devlin, P.J. J. Phys. Chem. B 1998, 102, 9375.
25. Devlin, P.J. Private communication.
26. Peslherbe, G.H.; Ladanyi, B.R.; Hynes, J.T. J. Phys. Chem. A 2000, 104, 4533.
27. Petersen, C.P.; Gordon, M.S. J. Phys. Chem. A 1999, 103, 4162.
28. Jungwirth, P. J. Phys. Chem. A 2000, 104, 145.
29. Jung, J.-O.; Gerber, R.B. J. Chem. Phys. 1996, 105, 10332.
30. Pople, J.A.; Binkley, J.S.; Seeger, R. Int. J. Quantum Chem. 1976, 10, 1.
31. Schmidt, M.W.; Baldridge, K.K.; Boatz, J.A.; Elbert, S.T.; Gordon, M.S.; Jensen, J.H.; Koseki, S.; Matsunaga, N.; Nguyen, K.A.; Su, S.; Windns, T.L.; Dupuis, M.; Montgomery, J.A. J. Comput. Chem. 1993, 14, 1347.
32. Dunning, T.H.; Hay, P.J. Methods of Electronic Structure Theory; Schaefer, H.F., Ed.; Plenum: New York, 1977; Chapter 1, pp 1-27.
33. Dunning, T.H. J. Chem. Phys. 1971, 55, 716.
34. Dunning, T.H., Jr. J. Chem. Phys. 1989, 90, 1007; Woon, D.E.; Dunning, T.H., Jr. J. Chem. Phys. 1993, 98, 1358; Kendall, R.A.; Dunning, T.H., Jr.; Harrison, R.J. J. Chem. Phys. 1992, 96, 6769; Woon, D.E.; Dunning, T.H., Jr. J. Chem. Phys. 1993, 98, 1358.
35. Dunning, T.H., Jr. J. Chem. Phys. 1989, 90, 1007; Woon, D.E.; Dunning, T.H., Jr. J. Chem. Phys. 1993, 98, 1358; Kendall, R.A.; Dunning, T.H., Jr.; Harrison, R.J. J. Chem. Phys. 1992, 96, 6769; Woon, D.E.; Dunning, T.H., Jr. J. Chem. Phys. 1993, 98, 1358.
36. Dunning, T.H., Jr. J. Chem. Phys. 1989, 90, 1007; Woon, D.E.; Dunning, T.H., Jr. J. Chem. Phys. 1993, 98, 1358; Kendall, R.A.; Dunning, T.H., Jr.; Harrison, R.J. J. Chem. Phys. 1992, 96, 6769; Woon, D.E.; Dunning, T.H., Jr. J. Chem. Phys. 1993, 98, 1358.
37. Dunning, T.H., Jr. J. Chem. Phys. 1989, 90, 1007; Woon, D.E.; Dunning, T.H., Jr. J. Chem. Phys. 1993, 98, 1358; Kendall, R.A.; Dunning, T.H., Jr.; Harrison, R.J. J. Chem. Phys. 1992, 96, 6769; Woon, D.E.; Dunning, T.H., Jr. J. Chem. Phys. 1993, 98, 1358.
38. Bowman, J.M. Acc. Chem. Res. 1986, 19, 202.
39. Ratner, M.A.; Gerber, R.B. J. Phys. Chem. 1986, 90, 20.
40. Yang, W.; Peet, A.C. J. Chem. Phys. 1990, 92, 522.
41. Löwdin, P.-O. Adv. Quantum Chem. 1970, 5, 185.
42. Legon, A.C. Chem. Soc. Rev. 1993, 22, 153.
43. Baldridge, K.K.; Gordon, M.S.; Truhlar, D.G.; Steckler, R. J. Phys. Chem. 1989, 93, 5107.
44. Gonzalez, C.; Schlegel, H.B. J. Chem. Phys. 1989, 90, 2154.