Structural information on alkali cation microhydration clusters from infrared spectra

Physical Chemistry Chemical Physics

Volumn 5, Issue 22, 2003, Pages 5021-5030

  Schulz, Franziska ^a   Hartke, Bernd ^a  

^a UNIVERSITY OF KIEL   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ALKALI; CATION; CESIUM ION; POTASSIUM ION; SODIUM ION;

AB INITIO CALCULATION; ARTICLE; GENETIC ALGORITHM; GEOMETRY; HYDRATION; INFRARED SPECTROSCOPY; MATHEMATICAL COMPUTING; MOLECULAR INTERACTION; PHYSICAL CHEMISTRY; SIMULATION; SOLVATION; STRUCTURE ANALYSIS; TEMPERATURE DEPENDENCE; THEORETICAL STUDY;

EID: 0344443195     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b310657h     Document Type: Article

References (43)

1. K. Liu, J. D. Cruzan and R. J. Saykally, Science (Washington, D. C.), 1996, 271, 929.
2. A. W. Castleman, Jr. and K. H. Bowen, J. Phys. Chem., 1996, 100, 12911.
3. M. A. Duncan, Annu. Rev. Phys. Chem., 1997, 48, 69.
4. J. M. Lisy, Int. Rev. Phys. Chem., 1997, 16, 267.
5. U. Buck and F. Huisken, Chem. Rev., 2000, 100, 3863.
6. G. Niedner-Schatteburg and V. E. Bondybey, Chem. Rev., 2000, 100, 4059.
7. F. Sobott, A. Wattenberg, H.-D. Barth and B. Brutschy, Int. J. Mass Spectrom., 1999, 185/186/187, 271.
8. S.-W. Lee, P. Freivogel, T. Schindler and J. L. Beauchamp, J. Am. Chem. Soc., 1998, 120, 11758.
9. J. Kim, S. Lee, S. J. Cho, B. J. Mhin and K. S. Kim, J. Chem. Phys., 1995, 102, 839.
10. H. M. Lee, J. Kim, S. Lee, B. J. Mhin and K. S. Kim, J. Chem. Phys., 1999, 111, 3995.
11. (a) T. P. Lybrand and P. A. Kollman, J. Chem. Phys., 1985, 83, 2923;
12. (b) P. Cieplak, T. P. Lybrand and P. A. Kollman, J. Chem. Phys., 1987, 86, 6393.
13. (a) S.-S. Sung and P. C. Jordan, J. Chem. Phys., 1986, 85, 4045;
14. (b) S. Lin and P. C. Jordan, J. Chem. Phys., 1988, 89, 7492.
15. P. B. Balbuena, L. Wang, T. Li and P. A. Derosa, in Molecular Dynamics. From Classical to Quantum Methods. Theoretical and Computational Chemistry, ed. P. B. Balbuena and J. M. Seminario, Elsevier, Amsterdam, 1999, vol. 7, p. 431.
16. P. M. Holland and A. W. Castleman, Jr., J. Chem. Phys., 1980, 72, 5984.
17. J. L. Kassner, Jr. and D. E. Hagen, J. Chem. Phys., 1976, 64, 1860.
18. A. Khan, Chem. Phys. Lett., 1994, 217, 443.
19. S. Wei, Z. Shi and A. W. Castleman, Jr., J. Chem. Phys., 1991, 94, 3268.
20. G. Hulthe, G. Stenhagen, O. Wennerström and C.-H. Ottosson, J. Chromatogr., A, 1997, 777, 155.
21. W. Blokzijl and J. B. F. N. Engberts, Angew. Chem., 1993, 105, 1610.
22. T. Head-Gordon, Proc. Natl. Acad. Sci. U. S. A., 1995, 92, 8308.
23. F. Schulz and B. Hartke, ChemPhysChem, 2001, 3, 98.
24. B. Hartke, A. Charvat, M. Reich and B. Abel, J. Chem. Phys., 2002, 216, 3588.
25. F. Schulz, Diploma Thesis, University of Stuttgart, Germany, 2001.
26. J. Sadlej, V. Buch, J. K. Kazimirski and U. Buck, J. Chem. Phys., 1999, 103, 4933.
27. B. Hartke, J. Phys. Chem., 1993, 97, 9973.
28. B. Hartke, J. Comput Chem., 1999, 20, 1752.
29. B. Hartke, Z. Phys. Chem., 2000, 214, 1251.
30. B. Hartke, Angew. Chem., 2002, 114, 1534; Angew. Chem. Int. Ed., 2002, 41, 1468.
31. B. Hartke, Angew. Chem., 2002, 114, 1534; Angew. Chem. Int. Ed., 2002, 41, 1468.
32. B. Hartke, in Application of Evolutionary Computation in Chemistry, ed. R. L. Johnston, Structure and Bonding series, Springer, Heidelberg, 2004, vol. 110, in press.
33. K. Kim, K. D. Jordan and T. S. Zwier, J. Am. Chem. Soc., 1994, 116, 11568.
34. J. Brudermann, M. Melzer, U. Buck, J. K. Kazimirski, J. Sadlej and V. Buch, J. Phys. Chem., 1999, 110, 10649.
35. U. Buck, I. Ettischer, M. Melzer, V. Buch and J. Sadlej, J. Chem. Phys., 1999, 103, 4933.
36. A. Lüchow, D. Spangenberg, C. Janzen, A. Jansen, M. Gerhards and K. Kleinermanns, Phys. Chem. Chem. Phys., 2001, 3, 2771.
37. V. Buch, J. P. Devlin and C. Joyce. J. Phys. Chem., 2000, 104, 1974.
38. V. Buch and J. P. Devlin, J. Phys. Chem., 1999, 110, 3437.
39. K. Hermansson, J. Lindgren and M. M. Probst, Chem. Phys. Lett., 1995, 233, 371.
40. M. Sage, Chem. Phys., 1978, 35, 357.
41. (a) W. L. Jorgensen, J. Chem. Phys., 1982, 77, 4156;
42. (b) J. Chandrasekhar, D. C. Spellmeyer and W. L. Jorgensen, J. Am. Chem. Soc., 1984, 106, 903.
43. R. N. Pribble and T. S. Zwier, Science (Washington, D. C.), 1994, 265, 75.