Theoretical study on salicylaldehyde and 2-mercaptobenzaldehyde: Intramolecular hydrogen bonding

Journal of Physical Chemistry A

Volumn 102, Issue 13, 1998, Pages 2381-2387

  Chung, Gyusung ^a   Kwon, Ohyun ^b   Kwon, Younghi ^b  

^a Konyang University   (South Korea)

^b Hanyang University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001681791     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp973366f     Document Type: Article

References (31)

1. Back, C W, Hargittai. l Streact Chem. 1994, 5, 307.
2. Barisenko, K B Hargittai, L J. Phys Chem. 1993, 97, 4080.
3. Chung, G. Kwon, O. Kwon. Y. J.Phys. Chem. 1997, 101, 4628.
4. Bacisenko, K. B. Zaur, K-; Hargittai, l J. Phys. Chem. 1995, 99. 13808.
5. Schaefer, T.; Wildman, T. A; Salman, S. R. J. Am. Chem. Soc. Clark, P. D. Can J. 1980, 102, 107.
6. Schaefer, T.; Salman, S.R; Wildman, T. A; Clark P. D. Can J. Chem. Phys. 1985, 82, 4194.
7. Chung, G; Kwon, O.; Kwon, Y. J. Phys. Chem. A 1997, 101, 9415.
8. Frisch, M. J. Scheiner, A C; Schaefer, H.F; III: Binkley, J. S. J. Chem. Phys. 1985, 82, 4194.
9. Gilli, G ; Bellucci, F; Ferretti, V; Bertolasi, V.J. Am. Chem. Soc. 1989, 111, 1023.
10. Scuseria, G. E. J. Chem. Phys. 1992, 97, 7528.
11. Jursic B. S; Zdravkovski, Z. Ins. J. Quantrum Chem. 1995, 54, 161.
12. Jursic B. S. Int. J.Quantrum Chem. 1996, 57, 213.
13. Bytheway, I; Bacskay, G. B; Hush, N. S. N. J. Phys. Chem. 1996, 100, 6023.
14. For more references, see: Fournier, R; Papai. l In Recent Advances in Density Functional Methods. Part 1 Chong, D. P. Ed. World Scientific: Singapore, 1995: Chapter 7.
15. Martin, J. M. L. Alsenoy, C. V. J. Phys. Chem. 1996. 100. 6973.
16. Sim. F; St. Amant, A. Papi. l : Salahub. D. J. Am. Chem. Soc. 1992, 114, 4391.
17. Lampert, H ; Mikenda, W ; Karpfen, A. J. Phys. Chem. 1996, 100, 7418.
18. Schaefer, T ; Sebastian, R ; McKinnon, D. M ; Spevack, P. W ; cox, K. J ; Takeuchi, C. S. Can. J. Chem. 1993, 71, 960.
19. Borisenko, K B ; Bock C. W ; Hargittai, l. J. Phys. Chem. 1996, 100, 7426.
20. Frich, M. J ; Trucks, G. W ; Schiegel, H. B ; Gill, P. M. W ; Johnson, B. G ; Robb, M. A ; Cheeseman, J. R ; Keith, T. A ; Petersson, G. A ; Montgomery. J. A ; Raghavachan, K ; Al-Laham, M. A ; Zakrzewski, V. G ; Ortiz J. V ; Foresman, J. B ; Cioslowski, J ; Stefanov, B ; Nanayakkara, A ; Challacombe, M; Peng, C. Y: Ayaka, P. Y: Chen. W ; Wong. M. W ; Anders, J. L: Replogie, E. S ; Gomperts, R: Martin, R. L; Fox, D. J; Binkley, J. S; Defrees, Defrees, D. J; Baker, J; Stewart, J. J. P; Head-Gorden, M; Gonzalez, C; Popie, J. A. GAUSSIAN 94 (Revission C-3r. Gaussian Inc: Pittsburg, PA, 1995.
21. Lee, C.; Yang, W.; Parr, R. G. J. Chem. Phys. 1993, B37, 785.
22. Beck, A. D. J. Chem. Phys. 1993, 98, 5648.
23. Frich, M. J; Frich M. J. Frisch, A.; Foresman, J. M. Gaussion 94 User's Reference, Gaussion Inc: Pittsburgh, PA, 1995.
24. Martin, J. M. L; El-Yazal, J; Francois, J. Mol Phys. 1995, 86, 1437.
25. El-Azhary, A. A; Suter, H.; U. J. Phys. Chem. 1996, 100, 15056.
26. Zuilhof, H: Dinnocenzo, J. P. Reddy, A. C.; Shaik, S. J. Phys. Chem. 1996, 100, 15774.
27. Del Bene, J. E.; Person, W. B.; Szczepaniak, K. J. Phys. Chem. 1995, 99, 10705.
28. Hobza, P.; Sponer, J.; Reschel, T. J. Comput, Chem. 1995, 16, 1315.
29. Wesolowski, T. A.; Pariser, O.; ellinger, Y.; Weber, J. Phys. Chem. A 1997, 101, 7818.
30. Dietrich, S. W.; Jorgensen, E. C.; Kolliman, P. A.; Rothenberg. S. J. Am. Chem. Soc. 1976, 98, 8310.
31. Schaefer, T.; Sebasstian, R.; Laatikatman, R.; Salman, S. R. Can. J. Chem. 1984,62, 326.