A comparative study of some red- And blue-shifted linear H-bonded complexes of N2

Journal of Computational Chemistry

Volumn 29, Issue 2, 2008, Pages 298-305

  McDowell, Sean A C ^a  

^a UNIVERSITY OF THE WEST INDIES   (Jamaica)

Author keywords

Blue shift; Counterpoise correction; Hydrogen bonding; Proton magnetic shielding; Rare gas compound

Indexed keywords

COMPLEXATION; HYDROGEN BONDS; MAGNETIC SHIELDING; MATHEMATICAL MODELS; PERTURBATION TECHNIQUES; VIBRATIONAL SPECTRA;

BLUE SHIFT; COUNTERPOISE CORRECTION; PROTON MAGNETIC SHIELDING; RARE-GAS COMPOUNDS;

NITROGEN COMPOUNDS;

CHLORINE; FLUORINE; HYDROCHLORIC ACID; HYDROFLUORIC ACID; HYDROGEN; KRYPTON; NITROGEN; PROTON;

ARTICLE; CHEMISTRY; COMPARATIVE STUDY; HYDROGEN BOND; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

CHLORINE; FLUORINE; HYDROCHLORIC ACID; HYDROFLUORIC ACID; HYDROGEN; HYDROGEN BONDING; KRYPTON; MAGNETIC RESONANCE SPECTROSCOPY; NITROGEN; PROTONS;

EID: 37649002975     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20792     Document Type: Article

References (31)

1. Scheiner S. Hydrogen Bonding; Oxford University Press: New York, 1997.
2. Hobza, P.; Havias, Z. Chem Rev 2000, 100, 4253; and references therein.
3. Barnes, A. J. J Mol Struct 2004, 704, 3.
4. Gerber, R. B. Ann Rev Phys Chem 2004, 55, 55.
5. Pettersson, M.; Khriachtchev, L.; Lundell, J.; Rasanen, M. In Inorganic Chemistry in Focus II; Meyer, D.: Naumann, D.; Wesemann, Eds.; Wiley-VCH: Weinheim, 2005.
6. McDowell, S. A. C. Curr Org Chem 2006, 10, 791.
7. Boys, S. F.; Bernardi, F. Mol Phys 1970, 19, 553.
8. Johanssson, A.; Kollman, P.; Rothenberg, S. Theor Chim Acta 1973, 29, 167.
9. Galano, A.; Alvarez-Idaboy, J. R. J Comput Chem 2006, 27, 1203.
10. Garden, A. L.; Lane, J. R.; Kjaergaard, H. G. J Chem Phys 2006, 125, 144317.
11. Simon, S.; Duran, M.; Dannenberg, J. J. J Chem Phys 1996, 105, 11024.
12. Frisch, M. J. et al. Gaussian 03, Revision A.7, Gaussian, Inc.: Pittsburgh PA, 2003.
13. Buckingham, A. D. Proc R Soc London Ser A 1958, 248, 169.
14. Buckingham, A. D. Proc R Soc London Ser A 1960, 255, 32.
15. Buckingham, A. D. Trans Faraday Soc 1960, 56, 753.
16. McDowell, S. A. C.; Buckingham, A. D. Mol Phys 2006, 104, 2527.
17. Zierkiewicz, W.; Jurecka, P.; Hobza, P. Chem Phys Chem 2005, 6, 609.
18. McDowell, S. A. C. Chem Phys 2004, 301, 53.
19. London, F. J Phys Radium 1937, 8, 397.
20. Ditchfield, R. Mol Phys 1974, 27, 789.
21. Wolinski, K.; Hinton, J. F.; Pulay, P. J Am Chem Soc 1990, 112, 8251.
22. Buckingham, A. D.; Tantirungrotechai, Y. Mol Phys 1999, 96, 1217.
23. Buckingham, A. D.; Tantirungrotechai, Y. Mol Phys 1999, 96, 1225.
24. Pople, J. A.; Schneider, W. G.; Bernstein, H. J. High-Resolution Nuclear Magnetic Resonance; McGraw-Hill: New York, 1955.
25. Buckingham, A. D.; Stiles, P. J. Mol Phys 1972, 24, 99.
26. Lovejoy, C. M.; Nesbitt, D. J. J Chem Phys 1987, 86, 3151.
27. McKellar, A. R. W.; Lu, Z. J Mol Spectrosc 1993, 161, 542.
28. Lignell, A.; Khriachtchev, L.; Pettersson, M.; Rasanen, M. J Chem Phys 2003, 118, 11120.
29. Li, X.; Liu, L.; Schlegel, H. B. J Am Chem Soc 2002, 124, 9639.
30. McDowell, S. A. C.; Buckingham, A. D. J Am Chem Soc 2005, 127, 15515.
31. Rodziewicz, P.; Rutkowski, K. S.; Melikova, S. M.; Koll, A. Chem Phys Chem 2005, 6, 1282.