Ab initio and hybrid DFT study on the electronic states of fluorenone-Na complexes

Physical Chemistry Chemical Physics

Volumn 5, Issue 17, 2003, Pages 3587-3590

  Kawabata, Hiroshi ^a   Tachikawa, Hiroto ^b  

^a OSAKA UNIVERSITY   (Japan)

^b HOKKAIDO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

FLUORENONE DERIVATIVE; PROTON; SODIUM DERIVATIVE;

AB INITIO CALCULATION; ARTICLE; ATOMIC PARTICLE; CALCULATION; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY; MATHEMATICAL COMPUTING; MOLECULAR INTERACTION; MOLECULAR STABILITY; THEORETICAL STUDY;

EID: 0042261925     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b305062a     Document Type: Article

References (20)

1. E. T. Kaiser and L. Keven, Radical Ions, Interscience, New York, 1968.
2. M. Scholz, G. Grscheidt and J. Daub, J. Chem. Soc., Chem. Commun., 1995, 803.
3. M. Cabdida and B. L. Shohoji, Tetrahedron Lett., 1995, 36, 6167.
4. S. K. Varshney, R. Jerome, P. Bayard, C. Jacobs, R. Fayt and P. Teyssie, Macromolecules, 1992, 25, 4457.
5. R. M. Hochstrasser, H. Luntz and G. W. Scott, Chem. Phys. Lett., 1974, 24, 162.
6. H.-B. Lin and M. Topp, Chem. Phys., 1979, 36, 365.
7. N. Steinberger and G. K. Fraenkel, J. Chem. Phys., 1964, 40, 723.
8. J. F. Grarst, R. A. Klein, D. Walmsley and Zabolotny, J. Am. Chem. Soc., 1965, 87, 2538.
9. N. Hirota andWeissman, J. Am. Chem. Soc., 1964, 86, 2538.
10. H. Tachikawa, H. Murai and H. Yoshida, J. Chem. Soc., Faraday Trans., 1993, 89, 2369.
11. H. Tsunoyama, K. Ohshimo, Y. Yamakita, F. Misaizu and K. Ohno, Chem. Phys. Lett., 2000, 316, 442.
12. L.-T. Wang and T.-M. Su, J. Phys. Chem. A, 2000, 104, 10825.
13. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, N. Rega, P. Salvador, J. J. Dannenberg, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, 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, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle and J. A. Pople, Gaussian 98, Revision A.11.2, Gaussian, Inc., Pittsburgh PA, 2001.
14. H. Tachikawa, J. Phys. Chem. A, 2002, 106, 6915.
15. H. Tachikawa, M. Igarashi and T. Ishibashi, J. Phys. Chem. A, 2002, 106, 10977.
16. H. Tachikawa and H. Kawabata, J. Phys. Chem., B, 2003, 107, 1113.
17. H. Tachikawa, Chem. Phys. Lett., 2003, 370, 188.
18. H. Tachikawa, J. Phys. Chem. A, 1998, 107, 7065.
19. H. Tachikawa and A. Shimizu, Bull. Chem. Soc. Jpn., 1999, 721, 1491.
20. N. Hirota, J. Am. Chem. Soc., 1967, 89, 21.