The keto-enol equilibrium of pentane-2,4-dione studied by ab initio methods

Monatshefte fur Chemie

Volumn 132, Issue 3, 2001, Pages 339-348

  Delchev, Vassil B ^a   Mikosch, Hans ^b   St Nikolov, Georgi ^c  

^a UNIVERSITY OF PLOVDIV   (Bulgaria)

^b VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

^c INSTITUTE OF GENERAL AND INORGANIC CHEMISTRY   (Bulgaria)

Author keywords

ab initio Calculations; Keto enol equilibrium; Pentane 2,4 dione; Transition states

Indexed keywords

EID: 57249106490     PISSN: 00269247     EISSN: None     Source Type: Journal    
DOI: 10.1007/s007060170120     Document Type: Article

References (33)

1. Emsley J (1984) Structure & Bonding 57: 147
2. Markov P (1984) Chem Soc Revs 13: 69
3. Lowrey AH, George C, D'Antonio P, Karle J (1971) J Amer Chem Soc 93: 6399
4. Buemi G, Gandolfo C (1990) Chem Soc Faraday Trans II 85: 215
5. Pashkevich KI, Salutin VK, Postovski I (1981) Russ Chem Revs 50: 325
6. Emsley J, Freeman N (1987) J Mol Struct 161: 193
7. Robeiro da Silva MAV, Ferraro ALCCH (1988) Pure Appl Chem 60: 1225
8. Andreassen AL, Bauer SI (1972) J Mol Struct 12: 381
9. Iijima K, Ohnogi A, Shibata S (1987) J Mol Struct 156: 111
10. Burstein KY, Isaev AN (1984) Theor Chim Acta 64: 397
11. Bliznyuk AA, Voityuk AA (1987) Theor Chim Acta 72: 223
12. Rios MA, Rodriguez J (1992) J Comput Chem 13: 860
13. Haddon RC (1980) J Amer Chem Soc 102: 1807
14. Nikolov GS, Markov P (1977/78) Annual Sofia Uni 1: 109
15. Chiavassa T, Verlaque P, Pizzala L, Roubin P (1994) Spectrochim Acta 50A: 343
16. Buemi G, Zuccarello F, Gandolfo C (1993) Gazz Chim Ital 123: 215
17. Dannenberg JJ, Rios R (1994) J Phys Chem 98: 6714
18. Albright T, Burdett J, Whangbo M (1985) Orbital Interactions in Chemistry. Wiley, New York, chapt 11
19. Dewar MJS, Dougherty RC (1977) The PMO Theory of Organic Chemistry. Plenum/Rosetta, New York, chapt 5.28
20. Nikolov GS, Markov P (1981) J Photochem 16: 93
21. Frisch MJ et al (1998) GAUSSIAN98, A.3., Revision, Gaussian Inc, Pittsburgh, PA
22. Camerman A, Mastropaolo D, Camerman N (1983) J Am Chem Soc 105: 1584
23. Rowe WS Jr, Duerst RW, Wilson EB (1976) J Amer Chem Soc 98: 4021
24. Semmingsen D (1972) Acta Chem Scand 26: 143
25. Delchev V, Nikolov GS (2000) Monatsh Chem 131: 107
26. Delchev V, Nikolov GS (2000) Monatsh Chem 131: 99
27. Cauletti C, Furlani C (1975) J Electron Spectrosc Rel Phen 6: 465
28. Urch DS (1974) In: Day P (ed) Electronic States if Inorganic Compounds: New Experimental Techniques, NATO ASI, Series C. Reidel, Dordrecht-Holland, p 468
29. Thorton DA (1990) Coord Chem Revs 104: 173
30. Nakamoto K (1978) Infrared and Raman Spectra of Inorganic and Coordination Compounds, 3d edn. Wiley-Interscience, New York, p 251
31. Enstbrunner EE (1978) J Chem Soc (A) 1558
32. Foresman JB, Frisch Æ (1996) In: Exploring Chemistry with Electronic Structure Methods, 2nd edn. Gaussian Inc, Pittsburgh, PA, chapt 4
33. Schuster P (1969) Chem Phys Lett 3: 433