Electronic and steric effects on the photoisomerization of dimethylsulfoxide complexes of Ru(II) containing picolinate

Journal of Physical Chemistry Letters

Volumn 1, Issue 23, 2010, Pages 3371-3375

  Lutterman, Daniel A ^a   Rachford, Aaron A ^b,c   Rack, Jeffrey J ^b   Turro, Claudia ^a  

^a OHIO STATE UNIVERSITY   (United States)

^b OHIO UNIVERSITY   (United States)

^c DOW CHEMICAL COMPANY   (United States)

Author keywords

General Theory; Molecular Structure; Quantum Chemistry

Indexed keywords

BIPYRIDINES; GENERAL THEORY; HIGHEST OCCUPIED MOLECULAR ORBITAL; LIGAND FIELD; PROMOTING ROLE; STERIC EFFECT; STERIC INTERACTIONS; TERPYRIDINES;

COMPLEXATION; EXCITED STATES; ISOMERIZATION; MOLECULAR ORBITALS; MOLECULAR STRUCTURE; QUANTUM THEORY;

BEHAVIORAL RESEARCH;

EID: 78649927660     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz1012966     Document Type: Article

References (48)

1. Rack, J. J. Electron Transfer Triggered Sulfoxide Isomerization in Ruthenium and Osmium Complexes Coord. Chem. Rev. 2009, 253, 78-85
2. McClure, B. A.; Rack, J. J. Isomerization in Photochromic Ruthenium Sulfoxide Complexes Eur. J. Inorg. Chem. 2010, 3895-3904
3. Browne, W. R.; Feringa, B. L. Light Switching of Molecules on Surfaces Annu. Rev. Phys. Chem. 2009, 60, 407-428
4. Irie, M. Diarylethenes for Memories and Switches Chem. Rev. 2000, 100, 1685-1716
5. Kume, S.; Nishihara, H. Photochrome-Coupled Metal Complexes: Molecular Processing of Photon Stimuli Dalton Trans. 2008, 3260-3271
6. Wang, M. S.; Xu, G.; Zhang, Z. J.; Guo, G.-C. Inorganic-Organic Hybrid Photochromic Materials Chem. Commun. 2010, 361-376
7. Yildiz, I.; Deniz, E.; Raymo, F. M. Fluorescence Modulation with Photochromic Switches in Nanostructured Constructs Chem. Soc. Rev. 2009, 1859-1867
8. Wigglesworth, T. J.; Myles, A. J.; Branda, N. R. High Content Photochromic Polymers Based on Dithienylethenes Eur. J. Org. Chem. 2005, 1233-1238
9. To, T. T.; Heilweil, E. J.; Duke, C. B.; Ruddick, K. R.; Webster, C. E.; Burkey, T. J. Development of Ultrafast Photochromic Organometallics and Photoinduced Linkage Isomerization of Arene Chromium Carbonyl Derivatives J. Phys. Chem. A 2009, 113, 2666-2676
10. Smith, M. K.; Gibson, J. A.; Young, C. G.; Broomhead, J. A.; Junk, P. C.; Keene, F. R. Photoinduced Ligand Isomerization in Dimethyl Sulfoxide Complexes of Ruthenium(II) Eur. J. Inorg. Chem. 2000, 1365-1370
11. Rack, J. J.; Winkler, J. R.; Gray, H. B. Phototriggered Ru(II)-Dimethylsulfoxide Linkage Isomerization in Crystals and Films J. Am. Chem. Soc. 2001, 123, 2432-2433
12. 2+ Inorg. Chem. 2003, 42, 5792-5794
13. Rack, J. J.; Rachford, A. A.; Shelker, A. M. Turning-Off Phototriggered Linkage Isomerizations in Ruthenium Dimethylsulfoxide Complexes Inorg. Chem. 2003, 42, 7357-7359
14. Rachford, A. A.; Petersen, J. L.; Rack, J. J. Designing Molecular Bistability in Ruthenium Dimethylsulfoxide Complexes Inorg. Chem. 2005, 44, 8065-8075
15. Rachford, A. A.; Petersen, J. L.; Rack, J. J. Efficient Energy Conversion in Photochromic Ruthenium DMSO Complexes Inorg. Chem. 2006, 45, 5953-5960
16. Rachford, A. A.; Rack, J. J. Picosecond Isomerization in Photochromic Ruthenium DMSO Complexes J. Am. Chem. Soc. 2006, 128, 14318-14324
17. Butcher, D. P., Jr.; Rachford, A. A.; Petersen, J. L.; Rack, J. J. Phototriggered S→O Isomerization of a Ruthenium-Bound Chelating Sulfoxide Inorg. Chem. 2006, 45, 9178-9180
18. Lutterman, D. A.; Rachford, A. A.; Rack, J. J.; Turro, C. Theoretical Insight on the S→O Bound Photoisomerization of DMSO Complexes of Ru(II) J. Phys. Chem. A 2009, 113, 11002-11006
19. 2+ (M = Fe, Ru, Os; bpy = 2,2′-Bipyridine) Inorg. Chem. 1982, 21, 3967-3977
20. 2+. Solvent Effects J. Am. Chem. Soc. 1983, 105, 5583-5590
21. 2+ Inorg. Chem. 1983, 22, 2444-2453
22. 2+ Inorg. Chem. 1984, 23, 3877-3886
23. Juris, A.; Balzani, V.; Barigelletti, F.; Campagna, S.; Belser, P.; Von Zelewsky, A. Ru(II) Polypyridine Complexes: Photophysics, Photochemistry, Electrochemistry, and Chemiluminescence Coord. Chem. Rev. 1988, 84, 88-277
24. Lumpkin, R. S.; Kober, E. M.; Worl, L. A.; Murtaza, Z.; Meyer, T. J. Metal-to-Ligand Charge Transfer (MLCT) Photochemistry. Experimental Evidence for the Participation of a Higher Lying MLCT State in Polypyridyl Complexes Ruthenium(II) and Osmium(II) J. Phys. Chem. 1990, 94, 239-243
25. Barigelletti, F.; Flamigni, L.; Balzani, V.; Collin, J.-P.; Sauvage, J.-P.; Sour, A.; Constable, E. C.; Thompson, A. M. W. C. Intramolecular Energy Transfer through Phenyl Bridges in Rod-like Dinuclear Ru(II)/Os(II) Terpyrdine-type Complexes Coord. Chem. Rev. 1994, 132, 209-214 (Pubitemid 124001823)
26. 2+ Science 1997, 275, 54-87
27. 6 Complexes having Nearly Isoenergetic MLCT and Ligand Localized Excited States Coord. Chem. Rev. 1998, 171, 43-59
28. 2+ J. Phys. Chem. A. 1999, 103, 8440-8446
29. McCusker, J. K. Femtosecond Absorption Spectroscopy of Transition Metal Charge-Transfer Complexes Acc. Chem. Res. 2003, 36, 876-887
30. Wang, X.-Y.; Guerzo, A. D.; Schmehl, R. H. Photophysical Behavior of Transition Metal Complexes Having Interacting Ligand Localized and Metal-to-Ligand Charge-Transfer States J. Photochem. Photobiol. C 2004, 5, 55-77
31. Baranoff, E.; Collin, J.-P.; Flamigni, L.; Sauvage, J.-P. From Ruthenium(II) to Iridium(III): 15 Years of Triads Based on bis-Terpyridine Complexes Chem. Soc. Rev. 2004, 33, 147-155
32. Baitalik, S.; Wang, X.-Y.; Schmehl, R. H. A Trimetallic Mixed Ru(II)/Fe(II) Terpyridyl Complex with a Long-Lived Excited State in Solution at Room Temperature J. Am. Chem. Soc. 2004, 126, 16304-16305
33. Abrahamsson, M.; Jager, M.; Osterman, T.; Eriksson, L.; Persson, P.; Becker, H.-C.; Johansson, O.; Hammarstrom, L. A 3 μs Room Temperature Excited State Lifetime of a bistridentate Ru(II) Polypyridine Complex for Rod-like Molecular Arrays J. Am. Chem. Soc. 2006, 128, 12616-12617
34. 2-Diphenylterpyridine Complex J. Am. Chem. Soc. 1985, 107, 1138-1141
35. Suen, H.-F.; Wilson, S. W.; Pomerantz, M.; Walsh, J. L. Photosubstitution Reactions of Terpyridine Complexes of Ruthenium(II) Inorg. Chem. 1989, 28, 786-791
36. 2CO Inorg. Chem. 1991, 30, 659-666
37. Ciofini, I; Daul, C. A.; Adamo, C. Phototriggered Linkage Isomerization in Ruthenium Dimethylsulfoxyde Complexes: Insight from Theory J. Phys. Chem. A 2003, 107, 11182
38. Borg, O. A.; Godinho, S. S. M. C.; Lundqvist, M. J.; Lunell, S.; Persson, P Computational Study of the Lowest Triplet State of Ruthenium Polypyridyl Complexes Used in Artificial Photosynthesis J. Phys. Chem. A. 2008, 112, 4470-4476
39. McClure, B. A.; Mockus, N. V.; Butcher, D. P., Jr.; Lutterman, D. A.; Turro, C.; Petersen, J. L.; Rack, J. J. Photochromic Ruthenium Sulfoxides Complexes: Evidence for Isomerization Through a Conical Intersection Inorg. Chem. 2009, 48, 8084-8091
40. Panina, N. S.; Calligaris, M. Density Functional Study of Linkage Isomerism in Dimethyl Sulfoxide Ru(III) and Rh(III) Complexes Inorg. Chim. Acta 2002, 334, 165-171
41. 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.; Gaussian 03, revision C.02; Gaussian Inc.; Wallingford, CT, 2004.
42. Becke, A. D. Density Functional Thermochemistry. 3. The Role of Exact Exchange J. Chem. Phys. 1993, 98, 5648-5652
43. Becke, A. D. Density-Functional Exchange-Energy Approximation with Correct Asymptotic Behavior Phys. Rev. A: Gen. Phys. 1988, 38, 3098-3100
44. Lee, C.; Yang, W.; Parr, R. G. Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density Phys. Rev. B: Condens. Matter Mater. Phys. 1988, 37, 785-789
45. Hehre, W. J.; Radom, L.; Schleyer, P. V. R.; Pople, J. A. Ab Initio Molecular Orbital Theory; John Wiley & Sons: New York, 1986.
46. Dolg, M.; Stoll, H.; Preuss, H. A Combination of Quasi-Relativistic Pseudopotential and Ligand Field Calculations for Lanthanoid Compounds Theor. Chim. Acta 1993, 85, 441-450
47. Wedig, U.; Dolg, M.; Stoll, H. Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry; Veilard, A., Ed.; D. Reidel Publishing Company: Dordrecht, The Netherlands, 1986.
48. Flükiger, P.; Lüthi, H. P.; Portmann, S.; Weber, J. MOLEKEL 4.3; Swiss Center for Scientific Computing: Manno, Switzerland, 2000; www.cscs.ch/molekel.