Ab initio studies on excited state intramolecular electron transfer in 4-amino-N-methylphthalimide and 3-amino-ar-methylphthalimide

International Journal of Quantum Chemistry

Volumn 106, Issue 4, 2006, Pages 913-927

  Sen, Kakali ^a   Basu, Samita ^b   Bhattacharyya, Dhananjay ^b  

^a VIDYASAGAR COLLEGE   (India)

^b SAHA INSTITUTE OF NUCLEAR PHYSICS   (India)

Author keywords

Intramolecular charge transfer; Intramolecular hydrogen bond; Normal modes; Planar ICT; Pyramidal amino group

Indexed keywords

CHARGE TRANSFER; CONFORMATIONS; GROUND STATE; MICELLES; NITROGEN COMPOUNDS; PERTURBATION TECHNIQUES;

INTRAMOLECULAR CHARGE TRANSFER; INTRAMOLECULAR HYDROGEN BOND; NORMAL MODES; PLANAR ICT; PYRAMIDAL AMINO GROUP;

ELECTRON TRANSITIONS;

EID: 33644935421     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.20866     Document Type: Article

References (53)

1. Lakowicz, J. R. Principles of Fluorescence Spectroscopy; 2nd Ed. Kluwer/Academic/Plenum: New York, 1999.
2. Kalyanasundaram, K. Photochemistry in Microheterogeneous Systems; Academic Press: Orlando, FL, 1987.
3. Kalyanasundaram, K. In Photochemistry in Organized and Constrained Media; Ramamurthy, V., Ed.; VCH: New York, 1991; p 39.
4. Kamat, P. V.; Fox, M. A. In Lasers in Polymer Science and Technology: Applications; Fouassier, J. P, Rabek, J. F., Eds.; CRC Press: Boca Raton, FL, 1990; Vol II, p 185.
5. Clarke, R. J.; Schrimpf, P.; Schoneich, M. Biochim Biophys Acta 1992, 1112, 142.
6. Chattopadhyay, A.; Mukherjee, S. Biochemistry 1993, 32, 3804.
7. Rotkeiwicz, K.; Grellmann, K. H.; Grabowski, Z. R. Chem Phys Lett 1973 19, 315.
8. Grabowski, Z. R.; Rotkiewicz, K.; Siemarczuk, A; Cowley, D. J.; Baumann, W. Nouv J Chim 1979, 3, 443.
9. Zachariasse, K. A. Chem Phys Lett 2000, 320, 8.
10. II'ichev, Y. V.; Kuhnle, W.; Zachariasse, K. A. J Phys Chem 1998, 102, 5670.
11. Zachariasse, K. A.; Grobys, M.; Tauer, E. Chem Phys Lett 1997, 274, 372.
12. Zachariasse, K. A.; Grobys, M.; von der Haar, T.; Hebecker, A.; Il'ichev, Y. V.; Marawski, O.; Ruckert, I.; Kuhnle, W. J Photochem Photobiol A 1997, 105, 373.
13. Zachariasse, K. A.; von der Haar, T.; Hebecker, A.; Leinhos, U.; Kuhnle, W. Pure Appl Chem 1993, 65, 1745.
14. Schuddeboom, W.; Jonker, S. A.; Warman, J. M.; Leinhos, U.; Kuhnle, W.; Zachariasse, K. A. J Phys Chem 1992, 96, 10809.
15. Solobewski, A. L.; Sudholt, W.; Domcke, W. J Phys Chem A 1998, 102, 2716.
16. Solobewski, A. L.; Domcke, W. Chem Phys Lett 1996, 259, 119.
17. Solobewski, A. L.; Sudholt, W.; Domcke, W. Chem Phys Lett 1996, 250, 428.
18. Soujanya, T.; Fessenden, R. W.; Samanta, A. J Phys Chem 1996, 100, 3507.
19. Sen, K; Basu, S; Bhattacharyya, D. Int J Quantum Chem 2005, 102, 368.
20. Bhattacharyya, D; Sen, K; Mukherjee, S. Ind J Chem A (Special Issue on Chemoinformatics and Computer-Aided Drug Design) (in press).
21. López-Tocón, I; Della Valle, R. G.; Becucci, M.; Castellucci, E.; Otero, J. C. Chem Phys Lett 2000, 327, 45.
22. Sponer, J; Hobza, P. Coll Czech Chem Quantum 2003, 68, 2231.
23. Mukherjee, S.; Majumdar, S.; Bhattacharyya, D. J Phys Chem B 2005, 109, 10484.
24. Bank, A.; Nath, S.; Pal, H. J Chem Phys 2003, 119, 10202.
25. Mennucci, B; Toniolo, A.; Tamosi, J. J Am Chem Soc 2000, 122, 10621.
26. Parusel, A. B. J.; Rettig, W., Sudholt, W. J Phys Chem A 2002, 106, 804.
27. Jamorski, C. J.; Foresman, B; Thilgen, C.; Luthi, H. P. J Chem Phys 2002, 116, 8761.
28. Jamorski, C. J.; Luthi, H. P. J Chem Phys 2002, 117, 4146.
29. Jamorski, C. J.; Luthi, H. P. J Chem Phys 2002, 117, 4157.
30. Jamorski, C. J.; Luthi, H. P. J Am Chem Soc. 2003, 125, 252.
31. Jamorski, C. J.; Luthi, H. P. J Chem Phys 2003, 119, 12852.
32. Schaftenaar, G.; Noordik, J. H. J Comput-Aided Mol Design 2000, 14, 123.
33. Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Elbert, S. T.; Gordon, M. S.; Jensen, A. H.; Koseki, S., Matsunaga, N.; Nguyen, K. A.; Su, S.; Windus, T. L.; Dupuis, M.; Montgomery, J. A., Jr. J Comput Chem 1993, 14, 1347.
34. Hariharan, P. C.; Pople, J. A. Theor Chim Acta 1973, 28, 213.
35. Francl, M. M.; Pietro, W. J.; Hehre, W. J.; Binkley, J. S.; Gordon, M. S.; DeFrees, D. J.; Pople, J. A. J Chem Phys 1982, 77, 3654.
36. Brooks, B. R.; Schaefer, H. F. J Chem Phys 1979, 70, 5092.
37. Schmidt, M. W.; Gordon, M. S. Annu Rev Phys Chem 1998, 49, 233.
38. Meier, U.; Staemmler V. Theor Chim Acta 1989; 76, 95.
39. Dupuis, M.; Chen, S.; Marquez, A. In Relativistic and Electron Correlation Effects in Molecules and Solids; Malli, G. L.; Ed.; Plenum: New York, 1994; p 315.
40. Young, D. Computational Chemistry: A Practical guide for Applying Techniques to Real-World Problems; Wiley-Interscience: New York, 2001.
41. Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kuhnle, W.; Zachariasse, K. A. Acta Crystallogr B 1994, 50, 363.
42. Gibson, E. M.; Jones, A. C.; Philips, D. Chem Phys Lett 1998, 146, 270.
43. Kajimoto, O.; Yokoyama, Y.; Endo, Y. Chem Phys Lett 1991, 179, 455.
44. Jameson, G. B.; Sheikh-Ali, B. M.; Weiss, R. G. Acta Crystallogr B 1994, 50, 703.
45. Ramachandran, G. N.; Lakshminarayan, A. V.; Kolaskar, A. S. Biochim Biophys Acta 1973, 303, 8.
46. Ramachandran, G. N.; Kolaskar, A. S. Biochim Biophys Acta 1973, 303, 385.
47. Dasgupta, A.; Majumdar, R.; Bhattacharyya, D. Ind J Biochem Biophys 2004, 42, 49.
48. Luscombe, N. M.; Laskowski, R. A.; Thornton, J. M. Nucleic Acids Res 1997, 25, 4940.
49. Word, J. M.; Lovell, S. C.; Richardson, J. S.; Richardson, D. C. J Mol Biol 1999, 285, 1735.
50. Cheng, A. C.; Chen, W. W.; Fuhrmann, C. N.; Frankel, D. J Mol Biol 2003, 327, 781.
51. de Rege, P. F. J.; Williams, S. A.; Therien, M. J. Science 1995, 269, 1409.
52. Roberts, J. A.; Kirby J. P., Nocera, D. G. J Am Chem Soc 1995, 117, 8051.
53. Bandekar, J.; Zundal, G. Spectrochim Acta 1982, 38, 815.