A density functional study to choose the best fluorophore for photon-induced electron-transfer (PET) sensors

Chemistry - A European Journal

Volumn 9, Issue 16, 2003, Pages 3920-3929

  Chatterjee, Abhijit ^a   Suzuki, Toshishige M ^a   Takahashi, Yukiko ^a   Pacheco Tanaka, David A ^a  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

Density functional calculations; Donor acceptor systems; Electron transfer; Reactivity indices; Sensors

Indexed keywords

ELECTRONIC DENSITY OF STATES; HYDROGEN BONDS; PROBABILITY DENSITY FUNCTION;

PHOTON-INDUCED ELECTRON TRANSFER (PET);

FLUORINE COMPOUNDS;

9 N (2 AMINOETHYL)AMINOMETHYLANTHRACENE; 9 N (2 PHENYLMETHYL)AMINOMETHYLANTHRACENE; 9 N (2 PYRIDYLMETHYL)AMINOMETHYLANTHRACENE; 9 N (3 PYRIDYLMETHYL)AMINOMETHYLANTHRACENE; 9 N (4 PYRIDYLMETHYL)AMINOMETHYLANTHRACENE; 9 N [2 (METHYLAMINO)ETHYL]AMINOMETHYLANTHRACENE; ANTHRACENE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; DENSITY FUNCTIONAL CALCULATION; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSPORT; ENERGY; FLUORESCENCE; GEOMETRY; HYDROGEN BOND; MOLECULAR INTERACTION; PHOTON; PHOTON INDUCED ELECTRON TRANSFER; SENSOR;

EID: 0041363370     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/chem.200204613     Document Type: Article

References (28)

1. A. P. De Silva, H. Q. N. Gunaratne,T. Gunnlaugsson,A. J. M. Huxley, C. P. McCoy, J. T. Rademacher, T. E. Rice, Chem. Rev. 1997, 97, 1515.
2. L. Streyer, Biochemistry, 3rd Ed., Freeman, New York, 1988.
3. R. Y. Tsien, Chem. Eng. News 1994, July 8, 34.
4. R. A. Bissel, A. P. De Silva, H. Q. N. Gunaratne, P. L. M. Lynch, G. E. M. Maguire, K. R. A. S. Sandanayake, Chem. Soc. Rev. 1992, 21, 187.
5. B. Valeur, "Probe Design and Chemical Sensing", Top. Fluoresc. Spectrosc. 1994, 4, 21.
6. A. P. De Silva, H. Q. N. Gunaratne, C. P. McCoy, Chem. Commun. 1996, 2399.
7. L. Fabbrizi, M. Licchelli, P. Pallavicini, A. Perotti, A. Taglietti, D. Sacchi, Chem. Eur. J. 1996, 2, 75.
8. A. P. De Silva, R. A. D. D. Rupasinghe, Chem. Commun. 1985, 1169.
9. R. G. Pearson, J. Am. Chem. Soc. 1983, 105, 7512.
10. R. G. Pearson, J. Chem. Educ. 1987, 64, 561.
11. R. G. Parr, W. Yang, J. Am. Chem. Soc. 1984, 106, 4049.
12. P. Geerlings, F. De Proft, Int. J. Quant. Chem. 2000, 80, 227.
13. L. T. Nguyen, T. N. Le, F. De Proft, A. K. Chandra, W. Langenaeker, M. T. Nguyen, P. Geerlings, J. Am. Chem. Soc. 1999, 121, 5992
14. W. Langenaeker, F. D. Proft, P. Geerlings, J. Phys. Chem. A 1998, 102, 5944.
15. A. K. Chandra, P. Geerlings, M. T. Nguyen, J. Org. Chem. 1997, 62, 6419.
16. A. Chatterjee, T. Iwasaki, T. Ebina, J. Phys. Chem. A 1999, 103, 2489, and references therein.
17. A. Chatterjee, T. Iwasaki, J. Phys. Chem. A 2001, 105, 6187.
18. A. Chatterjee, T. Iwasaki, T. Ebina, J. Phys. Chem. A 2002, 106, 641.
19. R. K. Roy, S. Krishnamurti, P. Geerlings, S. Pal, J. Phys. Chem. A 1998, 102, 3746.
20. A. Chatterjee, T. Iwasaki, T. Ebina, J. Phys. Chem. A 2001, 105, 10694.
21. R. G. Pearson, R. G. Parr, J. Am. Chem. Soc. 1983, 105, 7512.
22. W. Yang, M. J. Mortier, J. Am. Chem. Soc. 1986, 108, 5708.
23. W. Kohn, L. Sham, J. Phys. Rev. A 1965, 140, 1133.
24. A. Becke, J. Chem. Phys. 1988, 88, 2547.
25. C. Lee, W. Yang, R. G. Parr, Phys. Rev. B 1988, 37, 786.
26. C. W. Bock, M. Trachtman, J. Phys. Chem. 1994, 98, 95.
27. V. Amendola, L. Fabrizzi, P. Pallavicini, L. Parodi, A. Perotti, J. Chem. Soc. Dalton Trans. 1998, 2053.
28. Dmol3 User Guide 1999, Molecular Simulations Inc., San Diego, 1999.