Experimental and TDDFT characterization of the light-induced cluster-to-iron charge transfer in the (Ferrocenylethynyl)-substituted trinuclear platinum derivative [Pt3(μ-PBut 2)3(CO)2(C=C-Fc)]+

Inorganic Chemistry

Volumn 48, Issue 21, 2009, Pages 10126-10137

  De Biani, Fabrizia Fabrizi ^a   Manca, Gabriele ^b   Marchetti, Lorella ^b   Leoni, Piero ^b   Bruzzone, Samantha ^b   Guidotti, Carla ^b   Atrei, Andrea ^a   Albinati, Alberto ^c   Rizzato, Silvia ^c  

^a UNIVERSITY OF SIENA   (Italy)

^b UNIVERSITY OF PISA   (Italy)

^c UNIVERSITY OF MILAN   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 70350457801     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic901046f     Document Type: Article

References (61)

1. (a) Leoni, P.; Marchetti, L.; Mohapatra, S. K.; Ruggeri, G.; Ricci, L. Organometallics 2006, 25, 4226.
2. (b) Albinati, A.; Leoni, P.; Marchetti, L.; Rizzato, S. Angew. Chem., Int. Ed. 2003, 42, 5990.
3. (c) Leoni, P.; Marchetti, F.; Marchetti, L.; Pasquali, M. Chem. Commun. 2003, 2372.
4. (a) Bonaccorsi, C.; Fabrizi de Biani, F.; Funaioli, T.; Leoni, P.; Marchetti, F.; Marchetti, L.; Zanello, P. Chem.-Eur. J. 2008, 14, 847.
5. (b) Cavazza, C.; Fabrizi de .Biani, F.; Leoni, P.; Marchetti, F.; Marchetti, L.; Zanello, P. Inorg. Chem. 2009, 48, 1385.
6. (c) Fabrizi de Biani, F.; Ienco, A.; Laschi, F.; Leoni, P.; Marchetti, F.; Marchetti, L.; Mealli, C.; Zanello, P. J. Am. Chem. Soc. 2005, 127, 3076.
7. (d) Leoni, P.; Marchetti, F.; Pasquali, M.; Marchetti, L.; Albinati, A. Organometallics 2002, 21, 2176.
8. (a) Barlow, S.; O'Hare, D. Chem. Rev. 637.
9. (b) Albinati, A.; Fabrizi de Biani, F.; Leoni, P.; Marchetti, L.; Pasquali, M.; Rizzato, S.; Zanello, P. Angew. Chem. Int. Ed. 2005, 44, 5701.
10. Sato, M.; Mogi, E.; Katada, M. Organometallies 1996, 14, 4837.
11. Budzelaar, P. H. M. gNMR, version 5.0.6.0; Adept Scientific pic: Herts, U.K., 2006.
12. Leoni, P.; Manetti, S.; Pasquali, M.; Albinati, A. Inorg. Chem. 1996, 35, 6045.
13. Fink, H.; Long, N. J.; Martin, A. J.; Opromolla, G.; White, A. J. P.; Williams, D. J.; Zanello, P. Organometallics 1997, 16, 2646.
14. (a) Carugo, O.; Santis, G. D.; Fabbrizzi, L.; Licchelli, M.; Monichino, A.; Pallavicini, P. Inorg. Chem. 1992, 31, 765.
15. (b) Rajput, J.; Moss, J. R.; Hutton, A. T.; Hendricks, D. T.; Arendse, G. E.; Imrie, C. J. Organomet. Chem. 2004, 689,1553.
16. (c) Barranco, E. M.; Cresspo, O.; Gimeno, M. C.; Jones, P. G.; Laguna, A.; Villacampa, M. D. J. Organomet. Chem. 1999, 592, 258.
17. -3) solution.
18. Albinati, A.; Leoni, P.; Marchetti, F.; Marchetti, L.; Pasquali, M.; Rizzato, S. Eur. J. Inorg. Chem. 2008, 38, 25.
19. Leoni, P.; Manetti, S.; Pasquali, M. Inorg. Chem. 1995, 34, 749.
20. Wagner, C. D.; Naumkin, A. V.; Kraut-Vass, A.; Allison, J. W.; Powell, C. J.; Rumble J. R. NIST X-ray Photoelectron Spectroscopy Database, version. 3.4 (http://srdata.nist.gov/xps/index.htm).
21. Woodbridge, C. M.; Pugmire, D. L.; Johnson, R. C.. Boag, N. M.; Langell, M. A. J. Phys. Chem. 2000, B.104, 3085.
22. Practical Surface Analysis; Briggs, D., Seah, M.P., Eds.; Wiley: New York, 1985.
23. (a) Stratmann, R. E.; Scuseria, G. E.; Frisch, M. J. J. Chem. Phys. 1998, 109, 8218.
24. (b) Bauernschmitt, R.; Ahlrichs, R. Chem. Phys. Lett. 1996, 256, 454.
25. (c) Casida, M. E.; Jamorski, C.; Casida, K. C.; Salahub, D. R. J. Chem. Phys. 1998, 108, 4439.
26. (a) Vlček, A., Jr.; Zálíš, S. J. Phys. Chem. A 2005, 109, 2991.
27. (b) Villegas, J. M.; Stoyanov, S. R.; Reibenspies, J. H.; Rillema, D. P. Organometallics 2005, 24, 395.
28. (c) Barone, V.; Fabrizi de Biani, F.; Ruiz, E.; Sieklucka, B. J. Am. Chem. Soc. 2001, 123, 10742.
29. (a) Barone, V.; Cossi, M. J. Phys. Chem. 1998, A102, 1995.
30. (b) Cossi, M.; Rega, N.; Scalmani, G.; Barone, V. J. Comput. Chem. 2003, 24, 669.
31. Zanello, P. Inorganic Electrochemistry. Theory, Practice and Application; Royal Society of Chemistry: Cambridge, U.K., 2003; and references cited therein.
32. (a) Underwood, D. J.; Hoffmann, R.; Tatsumi, K.; Nakamura, A.; Yamamoto, Y. J. Am. Chem. Soc. 1985, .107, 5968.
33. (b) Mealli, C. J. Am. Chem. Soc. 1985, 107, 2245.
34. (c) Puddephatt, R. J.; Manojlovic-Muir, L.; Muir, K. W. Polyhedron 1990, 9, 1161.
35. (d) Imhof.D.; Venanzi, L. M. Chem. Soc. Rev. 1994, 185.
36. (e) Burrows, A. D.; Mingos, D. M. P. Coord. Chem. Rev. 1996, 154.
37. NBO version incorporated within the G03 suite: Glendening, E. D.; Carpenter, A. E.; Weinhold F. NBO Version 3.1; 1995.
38. (a) Fox, M. A.; Roberts, R. L.; Khairul, W. M.; Hartl, F.; Low, P. J. J. Organomet. Chem. 2007, 692, 3277.
39. (b) Powell, C. E.; Cifiientes, M. P.; McDonoagh, A. M.; Hurst, S. K.; Lucas, N. T.; Delfs, C. D.; Stranger, R.; Humphrey, M. G.; Houhrechts, S.; Asselberghs, I.; Persoons, A.; Hockless, D. C. R. Inorg. Chim. Acta 2003, 9, 352.
40. Vlček, A., Jr.; Zálií, S. Coord. Chem. Rev. 2007, 251, 258.
41. Many of the calculated values are very close in energy, and any attempt to reasonably fit the experimental spectrum, by a Gaussian deconvolution with nine Gaussian curves yielded uncontrolled results due to overparametrization of the fitting procedure.
42. P has its usual statistical, meaning as "the probability of obtaining the correlation R when the data are uncorrected".
43. Bruker AXS, SAINT, Integration Software; Bruker Analytical X-ray Systems: Madison, WI, 1995.
44. Sheldrick, G. M. SADABS, Program for Absorption Correction; University of Göttingen: Göttingen, Germany, 1996.
45. Parkin, S.; Moezzi, B.; Hope, H. J. Appl. Crystallogr. 1995, 28, 53.
46. Sheldrick, G. M. Acta Crystallogr. 2008, A64, 112.
47. International Tables for X-ray Crystallography; Wilson, A. J. C., Ed.; Kluwer Academic Publisher: Dordrecht, The Netherlands, 1992; Vol.C.
48. Farrugia, L. J. J. Appl. Crystallogr. 1999, 32, 837-838.
49. Farrugia, O. J. Appl. Crystallogr. 1997, 30, 565.
50. Krejčik, M.; Danek, M.; Hartl, F. J. Electroanal. Chem. 1991, 317, 179.
51. Handbook of X-ray Photoeleclron Spectroscopy; Chastain, J., Ed.; Perkin-Elmer: Eden. Praire, MN, 1992.
52. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J,; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J,; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision. C.02; Gaussian, Inc.: Wallingford, C T, 2004.
53. (a) Stratmann, R. E.; Scuseria, G. E.; Frisch, M. J. J. Chem. Phys. 1998, 109, 8218.
54. (b) Bauernschmitt, R.; Ahlrichs, R. Chem. Phys. Lett. 1996, 256, 454.
55. (c) Casida, M. E.; Jamorski, C.; Casida, K. C.; Salahub, D. R. J. Chem. Phys. 1998, 108, 4439.
56. (a.) Hay, P. J. Wadt, W. R. J. Chem. Phys. 1985, 82, 270 and 299.
57. (b) Wadt, W. R.; Hay, P. J. J. Chem. Phys. 1985, 82, 284.
58. Fantucci, P.;Folezzo, S.; Sironi, M.; Bencini, A. J. Chem. Soc., Dalton Trans. 1995, 4121.
59. Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
60. Barone, V.; Cossi, M. J. Phys. Chem. A 1998, 102, 1995.
61. Cossi, M.; Rega, N.; Scalmani, G.; Barone, V. J. Comput. Chem. 2003, 24, 669.