C-C bond as shuttle of two electrons in intermolecular and intramolecular processes: A theoretical approach to molecular batteries

Chemistry - A European Journal

Volumn 5, Issue 10, 1999, Pages 2914-2920

  Rosi, Marzio ^a   Sgamellotti, Antonio ^a   Franceschi, Federico ^b   Floriani, Carlo ^b  

^a UNIVERSITY OF PERUGIA   (Italy)

^b UNIVERSITY OF LAUSANNE   (Switzerland)

Author keywords

Density functional calculations; Electron reservoirs; Molecular batteries; Porphyrinogens; Schiff bases; Titanium

Indexed keywords

PORPHYRINOGEN; SCHIFF BASE; TITANIUM DERIVATIVE;

ARTICLE; CALCULATION; CHEMICAL BOND; COMPLEX FORMATION; ELECTRON TRANSPORT; METAL BINDING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; OXIDATION REDUCTION REACTION; STRUCTURE ANALYSIS;

EID: 0032875624     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1521-3765(19991001)5:10<2914::AID-CHEM2914>3.0.CO;2-M     Document Type: Article

References (29)

1. F. Franceschi, E. Solari, C. Floriani, M. Rosi, A. Chiesi-Villa, C. Rizzoli, Chem. Eur. J. 1999, 5, 708.
2. E. Gallo, E. Solari, N. Re, C. Floriani, A. Chiesi-Villa, C. Rizzoli, J. Am. Chem. Soc. 1997, 119, 5144.
3. E. Solari, C. Maltese, F. Franceschi, C. Floriani, A. Chiesi-Villa, C. Rizzoli, J. Chem. Soc. Dalton Trans. 1997, 2903.
4. S. De Angelis, E. Solari, E. Gallo, C. Floriani, A. Chiesi-Villa, C. Rizzoli, Inorg. Chem. 1996, 55, 5995.
5. a) U. Piarulli, E. Solari, C. Floriani, A. Chiesi-Villa, C. Rizzoli, J. Am. Chem. Soc. 1996, 118, 3634;
6. b) S. De Angelis, E. Solari, C. Floriani, A. Chiesi-Villa, C. Rizzoli, J. Am. Chem. Soc: 1994, 116, 5691;
7. c) S. De Angelis, E. Solari, C. Floriani, A. Chiesi-Villa, C. Rizzoli, J. Am. Chem. Soc. 1994, 116, 5702.
8. a) H. Fischer, H. Orth, Die Chemie des Pyrrols, Akademische Verlagsgesellschaft, Leipzig, Germany, 1934, p. 20;
9. b) M. Dennstedt, J. Zimmermann, Chem. Ber. 1887, 20, 850, 2449; M. Dennstedt, J. Zimmermann, Chem. Ber. 1888, 21, 1478;
10. b) M. Dennstedt, J. Zimmermann, Chem. Ber. 1887, 20, 850, 2449; M. Dennstedt, J. Zimmermann, Chem. Ber. 1888, 21, 1478;
11. c) M. Dennstedt, Chem. Ber. 1890, 23, 1370;
12. d) V. V. Chelintzev, B. V. Tronov, J. Russ. Phys. Chem. Soc. 1916, 48, 105, 127;
13. e)Th. Sabalitschka, H. Haase, Arch. Pharm. 1928, 226, 484;
14. f) P. Rothemund, C. L. Gage, J. Am. Chem. Soc. 1955, 77, 3340.
15. a) C. Floriani, Chem. Commun. 1996, 1257;
16. b) C. Floriani, Chimia 1996, 50, 608.
17. A. Ricca, C. W. Bauschlicher, J. Phys. Chem. 1994, 98, 12899.
18. A. D. Becke, Phys. Rev. A 1988, 38, 3098.
19. a) J. P. Perdew, Phys. Rev. B 1986, 33, 8822;
20. b) J. P. Perdew, Phys. Rev. B 1986, 34, 7406.
21. M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Peterson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. J. P. Stewart, M. Head-Gordon, C. Gonzalez, J. A. Pople, Gaussian 94, Gaussian, Pittsburgh PA, 1995.
22. a) A. E. Reed, L. A. Curtiss, F. Weinhold, Chem. Rev. 1988, 88, 899, and references therein;
23. b) J. E. Carpenter, F. Weinhold, J. Mol. Struct. (Theochem) 1988, 169, 41.
24. E. D. Glendening, A. E. Reed, J. E. Carpenter, F. Weinhold, NBO Version 3.1.
25. a) A. J. H. Wachters, J. Chem. Phys. 1970, 52, 1033;
26. b) P. J. Hay, J. Chem. Phys. 1977, 77, 4377.
27. M. J. Frisch, J. A. Pople, J. S. Binkley, J. Chem. Phys. 1984, 80, 3265, and references therein.
28. T. Clark, J. Chandrasekhar, G. W. Spitznagel, P. von R. Schleyer, J. Comput. Chem. 1983, 4, 294.
29. J. S. Binkley, J. A. Pople, W. J. Hehre, J. Am. Chem. Soc. 1980, 102, 939.