Fast intramolecular proton transfer in 2-(hydroxyaminomethylidene)-indan-1, 3-dione

Journal of Molecular Structure: THEOCHEM

Volumn 719, Issue 1-3, 2005, Pages 169-175

  Enchev, Venelin ^a   Abrahams, Isaac ^b   Angelova, Silvia ^a   Ivanova, Galya ^a  

^a INSTITUTE OF ORGANIC CHEMISTRY   (Bulgaria)

^b QUEEN MARY UNIVERSITY OF LONDON   (United Kingdom)

Author keywords

2 (Hydroxyaminomethylidene) indan 1,3 dione; 2 Carboxamide indan 1,3 dione; Ab initio; Crystal structure; NMR; Tautomerism

Indexed keywords

1,3 INDANDIONE DERIVATIVE; INDAN DERIVATIVE;

ARTICLE; ENERGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTON TRANSPORT; QUANTUM CHEMISTRY; STRUCTURE ANALYSIS; X RAY CRYSTALLOGRAPHY;

EID: 15944416368     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.01.030     Document Type: Article

References (21)

1. V.V. Moiseev, and I.T. Poluektov Usp. Khim. 42 1973 471
2. V. Enchev Chem. Papers 48 1994 219
3. V. Enchev, Sn. Bakalova, G. Ivanova, and N. Stoyanov Chem. Phys. Lett. 314 1999 234
4. A. Ahmedova, V. Mantareva, V. Enchev, and M. Mitewa Int. J. Cosm. Sci. 24 2002 103
5. J.D. Korp, I. Bernal, and T.L. Lemke Acta Crystallogr. B36 1980 428
6. R.L. Horton, and K.C. Murdock J. Org. Chem. 25 1960 938
7. A.A. Granovsky, www.http://classic.chem.msu.su/gran/gamess/index.html.
8. M.W. Schmidt, K.K. Baldridge, J.A. Boatz, S.T. Elbert, M.S. Gordon, J.H. Jensen, S. Koseki, N. Matsunaga, K.A. Nguyen, S. Su, T.L. Windus, M. Dupuis, and J.A. Montgomery Jr. J. Comput. Chem. 14 1993 1347
9. J.B. Foresman, T.A. Keith, K.B. Wiberg, J. Snoonian, and M.J. Frisch J. Phys. Chem. 100 1996 16098
10. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, GAUSSIAN 03, Revision B.04, Gaussian, Inc., Pittsburgh, PA, 2003.
11. T. Helgaker, M. Jaszunski, and K. Ruud Chem. Rev. 99 1999 293
12. K. Wolinski, J.F. Hilton, and P.J. Pulay J. Am. Chem. Soc. 112 1990 8251
13. R. Hooft Collect Data Collection and Processing User Interface: Collect: Data Collection Software 1998 Bruker Nonius B.V. The Netherlands
14. Z. Otwinowski Minor in methods in enzymology C.W. Carter R.M. Sweet Macromolecular Crystallography, Part A vol. 276 1997 Academic Press London 307 326
15. S. Mackay, C.J. Gilmore, C. Edwards, M. Tremayne, N. Stewart, and K. Shankland maXus: A Computer Program for the Solution and Refinement of Crystal Structures from Diffraction Data 1998 Bruker Nonius B.V. The Netherlands
16. G.M. Sheldrick, SADABS ver. 2.10, Bruker AXS, Inc., Madison, WI, 2003.
17. G.M. Sheldrick, shelx97 - Programs for Crystal Structure Analysis (Release 97-2), Institüt für Anorganische Chemie der Universität, Tammanstrasse 4, D-3400 Göttingen, Germany, 1998.
18. L.J. Farrugia J. Appl. Crystallogr. 30 1997 565
19. A.L. Speck Acta Crystallogr. A46 1990 C34
20. L.J. Farrugia J. Appl. Crystallogr. 32 1999 837
21. W.W. Cleland, and M.M. Kreevoy Science 264 1994 1887