Resonance raman studies of bis(terpyridine)ruthenium(II) amino acid esters and diesters

European Journal of Inorganic Chemistry

Volumn , Issue 21, 2009, Pages 3119-3126

  Heinze, Katja ^a   Hempel, Klaus ^b   Tschierlei, Stefanie ^c   Schmitt, Michael ^c   Popp, Jürgen ^c   Rau, Sven ^d  

^a JOHANNES GUTENBERG UNIVERSITY   (Germany)

^b UNIVERSITY OF HEIDELBERG   (Germany)

^c FRIEDRICH SCHILLER UNIVERSITY JENA   (Germany)

^d UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

Author keywords

Charge transfer; Density functional calculations; Raman spectroscopy; Ruthenium; Terpyridine

Indexed keywords

CHARGE TRANSFER; ESTERS; EXCITED STATES; LIGANDS; RUTHENIUM COMPOUNDS;

AMINO ACID ESTERS; DENSITY-FUNCTIONAL CALCULATIONS; DFT CALCULATION; DIESTERS; ELECTRON CONFIGURATION; METAL-TO-LIGAND CHARGE TRANSFER STATE; RAMAN STUDIES; RESONANCE RAMAN; RESONANCE RAMAN SPECTROSCOPY; TERPYRIDINES;

DENSITY FUNCTIONAL THEORY;

EID: 67651064996     PISSN: 14341948     EISSN: 10990682     Source Type: Journal    
DOI: 10.1002/ejic.200900309     Document Type: Article

References (40)

1. E. A. Medlycott, G. S. Hanan, Coord. Chem. Rev. 2006, 250, 1763-1783.
2. J. G. Vos, J. M. Kelly, Dalton Trans. 2006, 4869-4883.
3. M. Grätzel, Inorg. Chem. 2005, 44, 6841-6851.
4. F. Gao, Y. Wang, D. Shi, J. Zhang, M. Wang, X. Jing, R. Humphry-Baker, P. Wang, S. M. Zakeeruddin, M. Grätzel, J. Am. Chem. Soc. 2008, 130, 10720-10728.
5. H. Hofmeier, U. S. Schubert, Chem. Soc. Rev. 2004, 33, 373-399.
6. C. Siegers, J. Hohl-Ebinger, B. Zimmermann, U. Würfel, R. Mülhaupt, A. Hinsch, R. Haag, ChemPhysChem 2007, 8, 1548-1556.
7. R Felix, J. Ferguson, H. U. Güdel, A. Ludi, J. Am. Chem. Soc. 1980, 102, 4096-4102.
8. M. I. J. Poison, F. Loiseau, S. Campagna, G. S. Hanan, Chem. Commun. 2006, 1301-1303.
9. M. I. J. Poison, E. A. Medlycott, G. S. Hanan, L. Mikelsons, N. J. Taylor, N. Watanabe, Y. Tanaka, F. Loiseau, R. Passalac-qua, S. Campagna, Chem. Eur. J. 2004, 10, 3640-3648.
10. R. Passalacqua, F. Loiseau, S. Campagna, Y.-Q. Fang, G. S. Hanan, Angew. Chem. 2003, 115, 1646-1649;
11. Angew. Chem. Int. Ed. 2003, 42, 1608-1611.
12. E. A. Medlycott, G. S. Hanan, Chem. Soc. Rev. 2005, 34, 133-142.
13. a) J-P. Sauvage, J.-P. Collin, J.-C. Chambron, S. Guillerez, C. Coudret, Chem. Rev. 1994, 94, 993-1019;
14. b) J. R. Winkler, T. L. Netzel, C. Creutz, N. Sutin, J. Am. Chem. Soc. 1987, 109, 2381-2392;
15. c) U. Siemeling, J. Vor der Brüggen, U. Vorfeld, B. Neumann, A. Stammler, H.-G. Stammler, A. Brockhinke, R. Plessow, P. Zanello, F'. Laschi, F. Fabrizi de Biani, M. Fontani, S. Steenken, M. Stapper, G. Gurzadyan, Chem. Eur. J. 2003, 9, 2819-2833.
16. A. A. Bhuiyan, J.R. Kincaid, Inorg. Chem. 1998, 37, 2525-2530.
17. M. Maestri, N. Armaroli, V Balzani, E. C. Constable, A. M. W. Cargill Thompson, Inorg. Chem. 1995, 34, 2759-2767.
18. M. Abrahamsson, H. Wolpher, O. Johansson, J. Larsson, M. Kritikos, L. Eriksson, P.-O. Norrby, J. Bergquist, L. Sun, B. Åkermark, L. Hammerström, Inorg. Chem. 2005, 44, 3215-3225.
19. H. J. Bolink, L. Capelli, E. Coronado, P. Gaviña, Inorg. Chem. 2005, 44, 5966-5968.
20. U. S. Schubert, H. Hofmeier, G. R. Newkome, Modem Terpyridine Chemistry, Wiley-VCH, Weinheim 2006.
21. K. Heinze, K. Hempel, M. Beckmann, Eur. J. Inorg. Chem. 2006, 2040-2050.
22. K. J. Kise Jr., B. E. Bowler, Inorg. Chem. 2002, 41, 379-386.
23. D. J. Huxley, J. R. Roppe, Y. Tor, Chem. Commun. 1999, 993-994.
24. B. M. Bishop, D. G. McCafferty, B.W. Erickson, Tetrahedron 2000, 56, 4629-4638.
25. W. H. Soine, C. E. Guyer, F. F. Knapp Jr., J. Med. Chem. 1984, 27, 803-806.
26. a) K. Heinze, M. Beckmann, K. Hempel, Chem. Eur. J. 2008, 14, 9468-9480;
27. b) K. Heinze, K. Hempel, Chem. Eur. J. 2009, 15, 1346-1358.
28. J. R. Kincaid, K. Czamecki, Resonance Raman: Coordination Compounds, in: Comprehensive Coordination Chemistry II (Eds.: J. A. McCleverty, T. J. Meyer), vol. 2, Elsevier, Amsterdam, 2003.
29. M. H. Chisholm, C. M. Hadad, K. Heinze, K. Hempel, N. Singh, S. Vyas, J. Cluster Sci . 2008, 19, 209-218.
30. M. Schwalbe, B. Schäfer, H. Görls, S. Rau, S. Tschierlei, M. Schmitt, J. Popp, G. Vaughan, W. Henry, J. G. Vos, Eur. J. Inorg. Chem. 2008, 3310-3319.
31. C. Herrmann, J Neugebauer, M. Presselt, U. Uhlemann, M. Schmitt, S. Rau, J Popp, M. Reiher, J. Phys. Chem. B 2007, 111, 6078-6087.
32. S. Tschierlei, B. Dietzek, M. Karnahl, S. Rau, F. M. MacDonnell, M. Schmitt, J Popp, J. Raman Spectrosc. 2008, 39, 557-559.
33. 2 Cells, in: Comprehensive Coordination Chemistry II (Eds: J. A. McCleverty, T. J. Meyer), vol. 9, Elsevier, Amsterdam, 2003.
34. Artificial Photosynthesis: From Basic Biology to Industrial Application (Eds: A. F. Collings, C. Critchley), Wiley-VCH, Weinheim, 2005.
35. J. V. Caspar, T. J. Meyer, J. Am. Chem. Soc. 1983, 105, 5583-5590.
36. Gaussian 03, Revision B.03, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cios-lowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, 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, C. Gonzalez, J. A. Pople, Gaussian, Inc., Pittsburgh PA, 2003.
37. E. M. Kober, T. J. Meyer, Inorg. Chem. 1982, 21, 3967-3977.
38. B. J. Coe, D. W. Thompson, C. T. Culbertson, J. R. Schoonover, T. J. Meyer, Inorg. Chem. 1995, 34, 3385-3395.
39. For simplification of the model and facilitating convergence of geometry optimisation algorithms the ethyl groups in 1a-1c were replaced by hydrogen atoms, i.e. ethyl ester units are replaced by acid groups. In gas-phase calculations, i.e. without intermolecular interactions, this should leave the calculated frontier orbital energies and frontier orbital compositions rather unaffected.
40. K. Heinze, A. Reinhart, Dalton Trans. 2008, 469-480.