The N2O·N2O, N2O·SO2, and (N2O)2·SO2 van der Waals Complexes: An ab initio theoretical analysis

Journal of Physical Chemistry A

Volumn 108, Issue 11, 2004, Pages 2062-2071

  Valdes H ^a   Sordo, J A ^a  

^a UNIVERSITY OF OVIEDO   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

BAND STRUCTURE; FOURIER TRANSFORM INFRARED SPECTROSCOPY; MICROWAVE SPECTROSCOPY; MOLECULAR STRUCTURE; PERTURBATION TECHNIQUES; PHASE DIAGRAMS; POTENTIAL ENERGY; SURFACES; VAN DER WAALS FORCES;

ROTATIONAL BANDS; SLIPPED PARALLEL CONFIGURATION; SYMMETRY ADAPTED PERTURBATION THEORY; VAN DER WAALS SYSTEMS;

NITROGEN COMPOUNDS;

EID: 1642306159     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0367880     Document Type: Article

References (48)

1. Castleman, A. W., Jr.; Bowen, K. H., Jr. J. Phys. Chem. A 1996, 100, 12911.
2. Chem. Rev. 2000, 3861-4264.
3. Balle, T. J.; Flygare, W. H. Rev. Sci. Instrum. 1981, 52, 33.
4. Hobza, P.; Zahradník, R. Intermolecular Complexes. The Role of van der Waals Systems in Physical Chemistry and in Biodisciplines; Academia: Prague, 1988.
5. Jeffrey, G. A. An Introduction to Hydrogen Bonding; Oxford University Press: New York, 1997.
6. Stone, A. J. The Theory of Intermolecular Forces; Clarendom Press: Oxford, U.K., 1997.
7. Desiraju, G. R.; Steiner, T. The Weak Hydrogen Bond in Structural Chemistry and Biology; Oxford University Press: Oxford, U.K., 2001.
8. Yarkony, D. R., Ed.; Modern Electronic Structure Theory, World Scientific: Singapore, 1995; Parts I and II.
9. Helgaker, T.; Jorgensen, P.; Olsen, J. Molecular Electronic Structure Theory; Wiley: Chichester, U.K., 2002.
10. Chalasinski, G.; Szczesniak, M. M. Chem. Rev. 2000, 100, 4227.
11. Peebles, S. A.; Kuczkowski, R. L. J. Mol. Struct. (THEOCHEM) 2000, 500, 391.
12. Sun, S.; Bernstein, E. R. J. Phys. Chem. A 1996, 100, 13348.
13. Dykstra, C. E. J. Phys. Chem. A 1995, 99, 11680.
14. Hobza, P.; Selzle, H. L.; Schlag, E. W. Chem. Rev. 1994, 94, 1767.
15. Müller-Dethlefs, K.; Hobza, P. Chem. Rev. 2000, 100, 143.
16. Peebles, R. A.; Kuczkowski, R. L. J. Phys. Chem. A 2000, 104, 4968.
17. Peebles, R. A.; Kuczkowski, R. L. J. Chem. Phys. 2000, 112, 8839.
18. Stone, A. J.; Dullweber, A.; Hodges, M. P.; Popelier, P. L. A.; Wales, D. J. ORIENT: A Program for Studying Interactions between Molecules, version 3.2; University of Cambridge: Cambridge, U.K., 1995.
19. Rayón, V. M.; Sordo, J. A. J. Phys. Chem. A 1997, 101, 7414.
20. Rayón, V. M.; Sordo, J. A. Chem. Phys. Lett. 2001, 341, 575.
21. Valdés, H.; Sordo, J. A. J. Comput. Chem. 2002, 23, 444.
22. Valdés, H.; Sordo, J. A. J. Phys. Chem. A 2002, 106, 3690.
23. Valdés, H.; Sordo, J. A. J. Phys. Chem. A 2003, 107, 899.
24. Valdés, H.; Sordo, J. A. J. Phys. Chem. A 2003, 107, 7845.
25. Hehre, W. J.; Radom, L.; Schleyer, P.v.R.; Pople, J. A. Ab Initio Molecular Orbital Theory; Wiley: New York, 1986.
26. Dunning, T. H., Jr. J. Chem. Phys. 1989, 90, 1007.
27. Kendall, R. A.; Dunning, T. H., Jr. J. Chem. Phys. 1992, 96, 6796.
28. Jensen, F. Introduction to Computational Chemistry; Wiley: Chichester, U.K., 1999.
29. Dunning, T. H., Jr. J. Chem. Phys. A 2000, 104, 9062.
30. Feller, D.; Sordo, J. A. J. Chem. Phys. 2000, 112, 5604.
31. Feller, D.; Sordo, J. A. J. Chem. Phys. 2000, 113, 485.
32. Sordo, J. A. J. Chem. Phys. 2001, 114, 1974.
33. Boys, S. F.; Bernardi, F. Mol. Phys. 1970, 19, 553.
34. Bader, R. F. W. Atoms in Molecules. A Quantum Theory; Oxford University Press: New York, 1990.
35. Jeziorski, B.; Moszynski, R.; Szalewicz, K. Chem. Rev. 1994, 94, 1887.
36. Bukowski, R.; Jankowski, P.; Jeziorski, B.; Jeziorski, M.; Kucharski, S. A.; Moszynski, R.; Rybak, S.; Szalewicz, K.; Williams, H. L.; Wormer, P. E. S. SAPT96: An ab Initio Program for Many-Body Symmetry-Adapted Perturbation Theory Calculations of Intermolecular Interaction Energies; University of Delaware and University of Warsaw, 1996.
37. Chalasinski, G.; Szczesniak, M. M. Mol. Phys. 1988, 63, 205.
38. Sponer, J.; Hobza, P. J. Phys. Chem. A 2000, 104, 4592.
39. Rayón, V. M.; Sordo, J. A. J. Chem. Phys. 1997, 107, 7912.
40. Johnson, B. G.; Gill, P. M. W.; Pople, J. A. J. Chem. Phys. 1993, 98, 5612.
41. Valdés, H.; Rayón, V. M.; Sordo, J. A. Int. J. Quantum Chem. 2001, 84, 78.
42. Rayón, V. M.; Sordo, J. A. J. Chem. Phys. 1999, 110, 377.
43. Braña, P.; Menéndez, B.; Fernández, T.; Sordo, J. A. J. Phys. Chem. A 2000, 104, 10842.
44. Braña, P.; Sordo, J. A. J. Am. Chem. Soc. 2001, 123, 10348.
45. Young, D. Computational Chemistry. A Practical Guide for Applying Techniques for Real World Problems; Wiley: New York, 2001.
46. Xie, Y.; Jang, J.-H.; King, R. B.; Schaefer, H. F., III. Inorg. Chem. 2003, 42, 5219.
47. Ruoff, R. S.; Klots, T. D.; Emilsson, T.; Gutowski, H. S. J. Chem. Phys. 1990, 93, 3142.
48. Huang, Z. S.; Miller, R. E. J. Chem. Phys. 1988, 89, 5408.