NIR dyes based on [M(R,R′timdt)2] metal-dithiolenes: Additivity of M, R, and R′ contributions to tune the NIR absorption (M = Ni, Pd, Pt; R,R′timdt = monoreduced form of disubstituted imidazolidine-2,4,5-trithione)

European Journal of Inorganic Chemistry

Volumn , Issue 10, 2003, Pages 1939-1947

  Aragoni, M Carla ^a   Arca, Massimiliano ^a   Cassano, Tiziana ^b   Denotti, Carla ^a   Devillanova, Francesco A ^a   Frau, Romina ^a   Isaia, Francesco ^a   Lelj, Francesco ^c   Lippolis, Vito ^a   Nitti, Luigi ^b   Romaniello, Pina ^c   Tommasi, Raffaele ^b   Verani, Gaetano ^a  

^a UNIVERSITY OF CAGLIARI   (Italy)

^b INFM   (Italy)

^c UNIVERSITY OF BASILICATA   (Italy)

Author keywords

Density functional calculations; Nickel; Nonlinear optics; Palladium; Platinum; S ligands

Indexed keywords

CHLORINE COMPOUNDS; GROUND STATE; LIGANDS; LOCKS (FASTENERS); METAL IONS; MODE-LOCKED FIBER LASERS; NEODYMIUM LASERS; NICKEL; NONLINEAR OPTICS; ORGANIC SOLVENTS; PALLADIUM; PLATINUM; Q SWITCHING; SYNTHESIS (CHEMICAL); TOLUENE; YTTRIUM ALUMINUM GARNET;

ADDITIVITY; DENSITY-FUNCTIONAL CALCULATIONS; EMISSION WAVELENGTH; METALS IONS; MODELOCKING; ND: YAG; NIR ABSORPTIONS; NIR DYES; S LIGANDS; SWITCHING-MODE;

DENSITY FUNCTIONAL THEORY;

CHLOROFORM; DYE; IMIDAZOLE DERIVATIVE; IMIDAZOLIDINE 2,4,5 TRITHIONE; NICKEL; PALLADIUM; PLATINUM; TOLUENE; UNCLASSIFIED DRUG;

ABSORPTION; ARTICLE; CALCULATION; COMPLEX FORMATION; MOLECULAR DYNAMICS; MOLECULAR RECOGNITION; NEODYMIUM LASER; OPTICS; SYNTHESIS;

EID: 0038509928     PISSN: 14341948     EISSN: None     Source Type: Journal    
DOI: 10.1002/ejic.200200602     Document Type: Article

References (42)

1. K. Base, M. T. Tierney, A. Fort, J. Muller, M. W. Grinstaff, Inorg. Chem. 1999, 38, 287-289.
2. S. R. Marder, C. B. Gorman, F. Meyers, J. W. Perry, G. Bourhill, J. L. Bredas, B. M. Pierce, Science 1994, 265, 632-635.
3. S. R. Marder, D. N. Beratan, L. T. Cheng, Science 1991, 252, 103-106.
4. F. Meyers, S. R. Marden, B. M. Pierce, J. L. Bredas, J. Am. Chem. Soc. 1994, 116, 10703-10714.
5. S. D. Cummings, L.-T. Cheng, R. Eisemberg, Chem. Mater. 1997, 9, 440-450.
6. U. T. Mueller-Westerhoff, B. Vance, D. I. Yoon, Tetrahedron 1991, 47, 909-932.
7. U. T. Mueller-Westerhoff, K. H. Drexhage, IEEE J. Quantum Electron. QE-8 1972, 759-763.
8. U. T. Mueller-Westerhoff, K. H. Drexhage, US Patent 3,743,964, 1973.
9. P. Cassoux, Coord. Chem. Rev. 1999, 185-186, 213-232.
10. E. Canadell, Coord. Chem. Rev. 1999, 185-186, 629-651.
11. G. N. Schrauzer, V. P. Mayweg, J. Am. Chem. Soc. 1966, 3235-3242.
12. D. C. Olson, V. P. Mayweg, G. N. Schrauzer, J. Am. Chem. Soc. 1966, 4876-4882.
13. M. D. Ward, J. A. McCleverty, J. Chem. Soc., Dalton Trans. 2002, 275-288.
14. R. Williams, E. Billig, J. H. Waters, H. B. Grey, J. Am. Chem. Soc. 1966, 88, 43-50.
15. S. N. Oliver, S. V. Kershaw, A. E. Underhill, C. A. S. Hill, A. Charlton, Nonlinear Opt. 1995, 10, 87-99.
16. W. L. Tan, W. Ji, J. L. Zuo, J. F. Bai, X. Z. You, J. H. Lim, S. Yang, D. J. Hagan, E. W. Van Stryland, Appl. Phys. B 2000, 70, 809-812.
17. U. T. Mueller-Westerhoff, B. Vance, in Comprehensive Coordination Chemistry, 1st ed., Pergamon Press, Oxford, England, 1987, vol. 2, p. 595-631.
18. K. W. Browall, T. Bursh, L. V. Interrante, Inorg. Chem. 1972, 11, 1800-1806.
19. K. W. Browall, L. V. Interrante, J. Coord. Chem. 1973, 3, 27-38.
20. G. N. Schrauzer, V. P. Mayweg, J. Am. Chem. Soc. 1965, 87, 3585-3592.
21. F. Bigoli, P. R Deplano, F. A. Devillanova, V. Lippolis, P. J. Lukes, M. L. Mercuri, M. A. Pellinghelli, E. F. Trogu, J. Chem. Soc., Chem. Commun. 1995, 371-372.
22. F. Bigoli, P. Deplano, F. A. Devillanova, J. R. Ferraro, V. Lippolis, P. J. Lukes, M. L. Mercuri, M. A. Pellinghelli, E. F. Trogu, J. M. Williams, Inorg. Chem. 1997, 36, 1218-1226.
23. M. Arca, F. Demartin, E A. Devillanova, A. Garau, F. Isaia, F. Lelj, V. Lippolis, S. Pedraglio, G. Verani, J. Chem. Soc., Dalton Trans. 1998, 3731-3736.
24. M. C. Aragoni, M. Arca, F. Demartin, F. A. Devillanova, A. Garau, F. Isaia, E Lelj, V. Lippolis, G. Verani, J. Am. Chem. Soc. 1999, 121, 7098-7107.
25. F. Bigoli, P. Deplano, M. L. Mercuri, M. A. Pellinghelli, G. Pintus, E. F. Trogu, G. Zonnedda, H. H. Wang, J. Williams, Inorg. Chim. Acta 1998, 273, 175-183.
26. F. Bigoli, S. Curreli, P. Deplano, L. Leoni, M. L. Mercuri, M. A. Pellinghelli, A. Serpe, E. F. Trogu, J. Chem. Soc., Dalton Trans. 2002, 1985-1991.
27. T. Cassano, R. Tommasi, L. Nitti, M. C. Aragoni, M. Arca, C. Denotti, F. A. Devillanova, E Isaia, V. Lippolis, F. Lelj, P. Romaniello, J. Chem. Phys., in press.
28. P. Romaniello, M. C. Aragoni, M. Arca, T. Cassano, C. Denotti, F. A. Devillanova, F. Isaia, F. Lelj, V. Lippolis, R. Tommasi, J. Phys. Chem., submitted.
29. M. C. Aragoni, M. Arca, T. Cassano, C. Denotti, F. A. Devillanova, F. Isaia, V. Lippolis, D. Natali, L. Nitti, M. Sampietro, R. Tommasi, G. Verani, Inorg. Chem. Commun. 2002, 5, 869-872.
30. S. Sheibe, B. J. Pedersen, S.-O. Lawesson, Bull. Soc. Chim. Belg. 1978, 87, 229-240.
31. W. Freyer, J. Prakt. Chem. 1986, 328, 253-260.
32. 2 (9.08) 1017, 1001; MeCN (37.5) 1002, 986; ethyl acetate (6.02) 1015, 996; MeOH (32.6) 1001, 985; EtOH (24.3) 1009, 994; 1,4-dioxane (2.2) 1024, 1005: 1,2-dichloroethane (16.7) 1022, 1006; DMF (38.3) 1027, 1006; DMSO (47.2) 1036, 1015; nitrobenzene (35.7) 1037, 1009. The two sets of data are linearly correlated (R = 0.95).
33. -Methyl-8-[5-(6-methyl-2,4-diphenyl-6,7-dihydro-5H-chromen- 8-yl)penta-2,4-dienylidene]-2,4-diphenyl-5,6,7,8-tetrahydro- 2H-chromenium perchlorate.
34. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, 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, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, 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, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. G. Johnson, W. Chen, M. W. Wong, J. L. Andres, M. Head-Gordon, E. S. Replogle, J. A. Pople, Gaussian 98 (Revision A.7), Gaussian, Inc., Pittsburgh, PA, 1998.
35. E. S. Kryachko, E. V. Ludeña, Energy Density Function Theory of Many Electron Systems, Kluwer Academic Publisher, Dortrecht, Boston, 1990.
36. B. Miehlich, A. Savin, H. Stoll, H. Preuss, Chem. Phys. Lett. 1989, 157, 200-206.
37. A. D. Becke, J. Chem. Phys. 1993, 98, 1372-1377.
38. C. Lee, W, Yang, R. G. Parr, Phys. Rev. B 1988, 37, 785-789.
39. A. D. Becke, J, Chem. Phys. 1993, 98, 5648-5652.
40. A. Schafer, H. Horn, R. Ahlrichs, J. Chem. Phys. 1992, 97, 2571-2577.
41. P. J. Hay, W. R. Wadt, J. Chem. Phys. 1985, 82, 270-298.
42. S. Potmann, H. P. Lüthi, Chimia 2000, 54, 766-769.