Intramolecular hydrogen bonding in derivatives of 3-amino-propenethial

International Journal of Quantum Chemistry

Volumn 109, Issue 7, 2009, Pages 1497-1504

  Raissi, H ^a   Jalbout, A F ^b   Fazli, M ^b   Yoosefian, M ^a   Ghiassi, H ^a   Wang, Z ^c   De Leon, A ^b  

^a UNIVERSITY OF BIRJAND   (Iran)

^b UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

^c JIAXING UNIVERSITY   (China)

Author keywords

DFT; Electron delocalization; Hydrogen bond strength; Theoretical calculations

Indexed keywords

ATOMS IN MOLECULES; BADER THEORY; DFT; ELECTRON DELOCALIZATION; ELECTRON DENSITY DISTRIBUTION; H-BOND STRENGTH; H-BONDS; HYDROGEN BOND STRENGTH; INTRAMOLECULAR HYDROGEN BOND; INTRAMOLECULAR HYDROGEN BONDING; RESONANCE-ASSISTED HYDROGEN BONDS; ROTAMERS; THEORETICAL CALCULATIONS; TOPOLOGICAL PARAMETERS; TOPOLOGICAL PROPERTIES;

AMINES; BINDING SITES; BOND STRENGTH (CHEMICAL); BOND STRENGTH (MATERIALS); ELECTRONS; HYDROGEN; ISOMERS; PROBABILITY DENSITY FUNCTION;

HYDROGEN BONDS;

EID: 67649819646     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21785     Document Type: Article

References (18)

1. Raissi, H.; Bakavol, M.; Jimenez-Fabian, I.; Tajabadi, J.; Mdoshfeghi, E.; Jalbout, A. F. J Mol Struct (Theochem) 2007, 847, 47.
2. Raissi, H.; Yarali, A.; Farzad, F.; Nowroozi, A. Spectrochim Acta Part A 2006, 63, 729.
3. Raissi, H.; Moshfeghi, E.; Farzad, F. Spectrochim Acta Part A 2005, 62, 1004.
4. Jimenez-Fabian, I.; Jalbout, A. F.; Moshfeghi, E.; Raissi, H. Int J Quantum Chem 2008, 108, 383.
5. Raissi, H.; Moshfeghi, E.; Jalbout, A. F.; Hosseini, M. S.; Fazli, M. Int J Quantum Chem 2007, 107, 1835.
6. Farsch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gilli, P. M. W; Johsen, B. G.; Robb, M. A.; Cheedeman, J. A.; Keith, T. A.; Peterson, A.; Montgomery, J. A.; Raghvachari, K.; AlLaham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Chalacombe, M.; Ayala, C. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Reprogle, E. S.; Gomperts, R.; Martin, L. R.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Barker, J.; Stewart, J. P.; Head- Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94 (Revision E. 3); Gaussian, Inc.: Pittsburgh, PA, 1995.
7. Bader, R. F. W. Atoms in Molecules. A Quantum Theory; Oxford University Press: New York, 1990.
8. Cioslowski, J.; Nanayakkara, A.; Challacombe, M. Chem Phys Lett 1993, 203, 137.
9. Cioslowski, J. Chem Phys Lett 1992, 219, 151.
10. Espinosa, E.; Souhassou, M.; Lachekar, H.; Lecomte, C. Acta Crysta B 1999, 55, 563 (and references cited therein).
11. Gilli, G.; Bellucci, F.; Ferretti, V.; Bertolasi, V. J Am Chem Soc 1989, 111, 1023.
12. Betolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. J Am Chem Soc 1991, 113, 4917.
13. Gilli, P.; Bertolasi, V.; Ferretti, V.; Gilli, G. J Am Chem Soc 1994, 116, 909.
14. Gonzalez, L.; Mo, O.; Yanez, M. J Phys Chem A 1997, 101, 9710.
15. Alkorta, I.; Elguero, J.; Foces-Foses, C. Chem Commun 1996, 1633.
16. Grabowski, S. J. J Phys Chem A 2000, 104, 5551.
17. Grabowski, S. J. Monatsh Chem 2002, 133, 1373.
18. Nowroozi, A.; Raissi, H.; Farzad, F. J Mol Struct (Theochem) 2005, 730, 161.