Comparison of the intermolecular properties of N2...HArF with N2...HF

Journal of Chemical Physics

Volumn 118, Issue 9, 2003, Pages 4066-4072

  McDowell, Sean A C ^a  

^a UNIVERSITY OF THE WEST INDIES   (Jamaica)

Author keywords

[No Author keywords available]

Indexed keywords

ARGON; BINDING ENERGY; CALCULATIONS; COMPUTATIONAL METHODS; COMPUTER SIMULATION; HYDROGEN INORGANIC COMPOUNDS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; MONOMERS; NITROGEN; PROTONS;

HARMONIC VIBRATIONAL FREQUENCY; PROTON ACCEPTOR; ZERO-POINT VIBRATIONAL ENERGY;

HYDROGEN BONDS;

EID: 0037336782     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1540628     Document Type: Article

References (42)

1. G. A. Jeffrey, An Introduction to Hydrogen Bonding (Oxford University Press, New York, 1997).
2. G. R. Desiraju and T. Steiner, The Weak Hydrogen Bond (Oxford University Press, Oxford, 1999).
3. S. Scheiner, Hydrogen Bonding (Oxford University Press, New York, 1997).
4. H. Ratajczak, J. Phys. Chem. 76, 3000 (1972).
5. G. T. Trudeau, J.-M. Dumas, P. Dupuis, M. Guerin, and C. Sandorfy, Top. Curr. Chem. 93, 91 (1980).
6. M. Budesinsky, P. Fiedler, and Z. Arnold, Synthesis 11, 858 (1989).
7. I. E. Boldeskul, I. F. Tsymbal, E. V. Ryltsev, Z. Latajka, and A. J. Barnes, J. Mol. Struct. 167, 436 (1997).
8. W. Caminati, S. Melandri, P. Moreschini, and P. G. Favero, Angew. Chem. Int. Ed. Engl. 38, 2924 (1999).
9. B. J. van der Veken, W. A. Herrebout, R. Szostak, D. N. Shchepkin, Z. Havlas, and P. Hobza, J. Am. Chem. Soc. 123, 12290 (2001).
10. P. Hobza and Z. Havlas, Chem. Rev. 100, 4253 (2000).
11. P. Hobza, V. Spirko, Z. Havlas, K. Buchhold, B. Reimann, H.-D. Barth, and B. Brutschy, Chem. Phys. Lett. 299, 180 (1999).
12. E. Cubero, M. Orozco, P. Hobza, and F. J. Luque, J. Phys. Chem. 103, 6394 (1999).
13. P. Hobza, V. Spirko, H. L. Selzle, and E. W. Schlag, J. Phys. Chem. A 102, 2501 (1998).
14. B. Reimann, K. Buchhold, S. Vaupel, B. Brutschy, Z. Havlas, V. Spirko, and P. Hobza, J. Phys. Chem. A 105, 2501 (2001).
15. P. Hobza, J. Sponer, E. Cubero, M. Orozco, and F. J. Luque, J. Phys. Chem. B 104, 6286 (2000).
16. E. Cubero, M. Orozco, and F. J. Luque, Chem. Phys. Lett. 310, 445 (1999).
17. H. M. Muchall, J. Phys. Chem. A 105, 632 (2001).
18. A. Masunov, J. J. Dannenberg, and R. H. Contreras, J. Phys. Chem. A 105, 4737 (2001).
19. A. Hocquet, Phys. Chem. Chem. Phys. 3, 3192 (2001).
20. E. S. Kryachko and T. Zeegers-Huyskens, J. Phys. Chem. A 105, 7118 (2001).
21. Y. L. Gu, T. Kar, and S. Scheiner, J. Am. Chem. Soc. 121, 9411 (1999).
22. S. Scheiner, T. Kar, and Y. L. Gu, J. Biol. Chem. 276, 9832 (2001).
23. S. Scheiner and T. Kar, J. Phys. Chem. A 106, 1784 (2002).
24. K. Hermansson, J. Phys. Chem. A 106, 4695 (2002).
25. X. Li, L. Liu, and H. B. Schlegel, J. Am. Chem. Soc. 124, 9639 (2002).
26. A. Lignell, L. Khriachtchev, M. Petterson, and M. Rasanen, J. Chem. Phys. 117, 961 (2002).
27. N. Bartlett, Proc. Chem. Soc. 1962, 218.
28. L. Graham, O. Graudejus, N. Jha, and N. Bartlett, Coord. Chem. Rev. 197, 321 (2000).
29. L. Khriachtchev, M. Petersson, N. Runeberg, J. Lundell, and M. Rasanen, Nature (London) 406, 874 (2000).
30. M. W. Wong, J. Am. Chem. Soc. 122, 6289 (2000).
31. J. Lundell, G. M. Chaban, and R. B. Gerber, Chem. Phys. Lett. 331, 308 (2000).
32. L. Khriachtchev, M. Petterson, A. Lignell, and M. Rasanen, J. Am. Chem. Soc. 123, 8610 (2001).
33. N. Runeberg, M. Petersson, L. Khriachtchev, J. Lundell, and M. Rasanen, J. Chem. Phys. 114, 836 (2001).
34. G. M. Chaban, J. Lundell, and R. B. Gerber, Chem. Phys. Lett. 364, 628 (2002).
35. Z. Bihary, G. M. Chaban, and R. B. Gerber, J. Chem. Phys. 116, 5521 (2002).
36. J. Li, B. E. Bursten, B. Liang, and L. Andrews, Science 295, 2242 (2002).
37. B. Liang, L. Andrews, J. Li, and B. E. Burstein, J. Am. Chem. Soc. 124, 9016 (2002).
38. M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., Gaussian 98, Revision A.7, Gaussian, Inc., Pittsburgh, PA, 1998.
39. S. F. Boys and F. Bernardi, Mol. Phys. 19, 553 (1970).
40. NBO Version 3.1, E. D. Glendening, A. E. Reed, J. E. Carpenter, and F. Weinhold.
41. A. E. Reed, L. A. Curtiss, and F. Weinhold, Chem. Rev. 88, 899 (1988).
42. E. B. Wilson, J. C. Decius, and P. C. Cross, Molecular Vibrations (McGraw-Hill, New York, 1955).