Are the hydrogen bonds involving sulfur bases inverse or anomalous?

International Journal of Quantum Chemistry

Volumn 106, Issue 4, 2006, Pages 928-934

  Vila, Antonio ^a   Mosquera, Ricardo A ^a  

^a UNIVERSITY OF VIGO   (Spain)

Author keywords

Hydrogen bonding; QTAIM

Indexed keywords

COMPLEXATION; MOLECULES; QUANTUM THEORY; SULFUR;

ATOMIC POPULATIONS; ELECTRONEGATIVITY; QTAIM;

HYDROGEN BONDS;

EID: 33644949919     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.20853     Document Type: Article

References (22)

1. Jeffrey, G. A. An Introduction to Hydrogen Bonding; Oxford University Press: New York, 1997.
2. Scheiner, S. Hydrogen Bonding. A Theoretical Perspective; Oxford University Press: New York, 1997.
3. Bader, R. F. W. Atoms in Molecules. A Quantum Theory; International Series of Monographs in Chemistry No 22; Oxford University Press: Oxford, 1990.
4. Bader, R. F. W. Chem Rev 1991, 91, 893.
5. Popelier, P. L. A. Atoms in Molecules. An Introduction; Pearson Education: Harlow, UK, 2000.
6. Carroll, M. T.; Chang, C.; Bader, R. F. W. Mol Phys 1988, 63, 387.
7. Carroll, M. T.; Bader, R. F. W. Mol Phys 1988, 65, 695.
8. Koch, U.; Popelier, P. L. A. J Phys Chem 1995, 99, 9747.
9. Alkorta, I.; Rozas, I.; Elguero, J. Chem Soc Rev 1988, 27, 163.
10. Rozas, I.; Alkorta, I.; Elguero, J. J Phys Chem A 1997, 101, 4236.
11. Vila, A.; Vila, E.; Mosquera, R. A. Chem Phys (submitted).
12. Platts, J. A.; Howard, S. T.; Bracke, B. R. F. J Am Chem Soc 1996, 118, 2726.
13. Fegley, B.; Prin, R. G. Nature 1985, 318, 48.
14. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Rega, N.; Salvador, P.; Dannenberg, J. J.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, Revision A.11.3, Gaussian, Inc.: Pittsburgh, PA, 1998.
15. Popelier, P. L. A.; contribution by Bone, R. G. A. MORPHY98, a topological analysis program; UMIST, Engl., EU.
16. Popelier, P. L. A. Chem Phys Lett 1994, 288, 160.
17. Bader, R. F. W. AIMPAC: A Suite of Programs for the Theory of Atoms in Molecules: McMaster University, Hamilton, Ontario, Canada [contact bader@mcmail.cis.mcmaster.ca].
18. Biegler-König, F. W.; Bader, R. F. W.; Tang, T.-H. J Comput Chem 1982, 3, 317.
19. Viswanathan, R.; Dyke, T. R. J Chem Phys 1982, 77, 1166.
20. Vila, A.; Pardo, J. M.; Mosquera, R. A. Chem Phys Lett 2003, 375, 499.
21. Hurst, G. J. B.; Fowler, P. W.; Stone, A. J.; Buckingham, A. D. Int J Quantum Chem 1986, 29, 1223.
22. Politzer, P.; Landry, S. J.; Warnheim, T. J Phys Chem 1982, 86, 4767.