Do small carboxylic acids present intramolecular hydrogen bond?

Chemical Physics

Volumn 323, Issue 2-3, 2006, Pages 211-217

  Hermida Ramón, José Manuel ^a   Mosquera, Ricardo A ^a  

^a UNIVERSITY OF VIGO   (Spain)

Author keywords

Acetic acid; Formic acid; Hydrogen bond; Oxalic acid; QTAIM theory

Indexed keywords

EID: 33646073112     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2005.08.056     Document Type: Article

References (33)

1. Jeffrey G.A. An Introduction to Hydrogen Bonding (1997), Oxford University Press, New York
2. Pauling L. The Nature of the Chemical Bond (1939), Cornell University Press, Ithaca
3. Steiner T. Angew. Chem. Int. Ed. 41 (2002) 48
4. Bader R.F.W. Atoms in Molecules - A Quantum Theory vol. 22 (1990), Oxford University Press, Oxford
5. Carroll M.T., and Bader R.F.W. Mol. Phys. 65 (1988) 695
6. Koch U., and Popelier P.L.A. J. Phys. Chem. 99 (1995) 9747
7. Popelier P.L.A., and Bader R.F.W. Chem. Phys. Lett. 189 (1992) 542
8. Kulkarni S.A. J. Phys. Chem. A 102 (1998) 7704
9. Popelier P.L.A. J. Phys. Chem. A 102 (1998) 1873
10. Rozas I., Alkorta I., and Elguero J. J. Phys. Chem. A 101 (1997) 9457
11. Vila A., Mosquera R.A., and Hermida-Ramón J.M. J. Mol. Struct. (THEOCHEM) 541 (2001) 149
12. Vila A., Graña A.M., and Mosquera R.A. Chem. Phys. 281 (2002) 11
13. Klein R.A. J. Am. Chem. Soc. 124 (2002) 13931
14. Klein R.A. J. Comput. Chem. 23 (2002) 585
15. Mandado M., Graña A.M., and Mosquera R.A. Phys. Chem. Chem. Phys. 6 (2004) 4391
16. Mandado M., Graña A.M., and Mosquera R.A. Chem. Chem. Lett. 400 (2004) 169
17. Cheng C., and Shyu S.-F. Int. J. Quantum Chem. 76 (2000) 541
18. Brooks W.V.F., and Haas C.M. J. Phys. Chem. 71 (1967) 650
19. Godfrey P.D., Mirabella M.J., and Brown R.D. J. Phys. Chem. A 104 (2000) 258
20. Maçoas E.M.S., Fausto R., Pettersson M., Khriachtchev L., and Räsänen M. J. Phys. Chem. A 104 (2000) 6956
21. Frisch M.J., et al. Gaussian-98 (Revision A.9) (1998), Gaussian, Inc., Pittsburgh, PA
22. R.F.W. Bader and co-workers, AIMPAC: A Suite of Programs for the Theory of Atoms in Molecules, McMaster University, Hamilton, Ontario, Canada L8S 4M1.
23. MORPHY 98: A Suite of Programs for the Theory of Atoms in Molecules written by P.L.A. Popelier with a contribution from R.G.A. Bone, UMIST, England.
24. Popelier P.L.A. Chem. Phys. Lett. 288 (1994) 160
25. Fradera X., Austen M.A., and Bader R.F.W. J. Phys. Chem. A 103 (1999) 304
26. Bader R.F.W., Streitwieser A., Neuhaus A., Laidig K.E., and Speers K.E.P. J. Am. Chem. Soc. 118 (1996) 4959
27. Wang Y.G., and Werstiuk N.H. J. Comput. Chem. 24 (2003) 379
28. Wang Y.G., Matta C.F., and Werstiuk N.H. J. Comput. Chem. 24 (2003) 1720
29. Poater J., Solà M., Duran M., and Fradera X. Theor. Chem. Acc. 107 (2002) 362
30. Turi L., and Dannenberg J.J. J. Phys. Chem. 97 (1993) 12197
31. Marcoccia J.F., Ciszmadia I.G., Peterson M.R., and Poirier R.A. Gazz. Chim. Ital. 120 (1990) 77
32. A. Vila, R.A. Mosquera, J. Chem. Phys., submitted.
33. Mandado M., Graña A.M., and Mosquera R.A. J. Mol. Struct. (THEOCHEM) 584 (2002) 221