Insights into the photochemical disproportionation of transition metal dimers on the picosecond time scale

Journal of Physical Chemistry A

Volumn 117, Issue 18, 2013, Pages 3777-3785

  Lomont, Justin P ^a,b   Nguyen, Son C ^a,b   Harris, Charles B ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

19-ELECTRON INTERMEDIATES; DISPROPORTIONATIONS; ENERGETIC BARRIERS; PICOSECOND TIME SCALE; RADICAL CHAIN MECHANISMS; TIME RESOLVED INFRARED SPECTROSCOPY; TIME-RESOLVED INFRARED; TRANSITION-METAL DIMERS;

COORDINATION REACTIONS; ELECTRONS; FREE RADICAL REACTIONS; MECHANISMS; METAL COMPLEXES; TRANSITION METAL COMPOUNDS;

TRANSITION METALS;

EID: 84877713290     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp4021036     Document Type: Article

References (83)

1. Baird, M. C. Seventeen-Electron Metal-Centered Radicals Chem. Rev. 1988, 88, 1217-1227
2. Wilkinson, G. The Preparation and Some Properties of the Cobalticinium Salts J. Am. Chem. Soc. 1952, 74, 6148-6149
3. Pfab, W.; Fischer, E. O. Zur Kristallstruktur der Di-cyclopentadienyl- verbindungen des zweiwertigen Eisens, Kobalts und Nickels Z. Anorg. Allg. Chem. 1953, 274, 316-322
4. 2 Complex Organometallics 1990, 9, 1510-1516
5. 3 Organometallics 1991, 10, 419-423
6. Meyer, R.; Schut, D. M.; Keana, K. J.; Tyler, D. R. Generation and Spectroscopic Characterization of New 18 + δ Electron Complexes. Relationship Between the Stability of 18 + δ Electron Organometallic Complexes and their Ligand Reduction Potentials Inorg. Chim. Acta 1995, 240, 405-412
7. Schut, D. M.; Keana, K. J.; Tyler, D. R.; Rieger, P. H. Measurement and Manipulation of the Unpaired Electron Density in 18 + δ Complexes. Correlation of the Charge Density and Reactivity J. Am. Chem. Soc. 1995, 117, 8939-8946
8. Turaki, N. N.; Huggins, J. M. Ligand Substitution in the Cyclopentadienyltricarbonyltungsten Radical Organometallics 1986, 5, 1703-1706
9. Astruc, D. Nineteen-Electron Complexes and Their Role in Organometallic Mechanisms Chem. Rev. 1988, 88, 1189-1216
10. Tyler, D. R. 19-Electron Organometallic Adducts Acc. Chem. Res. 1991, 24, 325-331
11. Kling, M. F.; Cahoon, J. F.; Glascoe, E. A.; Shanoski, J. E.; Harris, C. B. The Role of Odd-Electron Intermediates and In-Cage Electron Transfer in Ultrafast Photochemical Disproportionation Reactions in Lewis Bases J. Am. Chem. Soc. 2004, 126, 11414-11415
12. 2 with Lewis Bases J. Am. Chem. Soc. 2005, 127, 12555-12565
13. Geiger, W. E. Deducing Structures of 19-Electron Complexes from Studies of Metal Polyolefin Radicals Acc. Chem. Res. 1995, 28, 351-357
14. Lomont, J. P.; Nguyen, S. C.; Harris, C. B. Direct Observation of a Bent Carbonyl Ligand in a 19-Electron Transition Metal Complex J. Phys. Chem. A 2013, 117, 2317-2324
15. Goldman, A. S.; Tyler, D. R. Nineteen-Electron Adducts in the Photochemistry of Tetracarbonylbis(cyclopentadienyl)diiron Inorg. Chem. 1987, 26, 253-258
16. Sim, G. A.; Woodhouse, D. I.; Knox, G. R. Preparation and Characterization of Two Triphenylphosphineiron Carbonyl Complexes: X-Ray Crystallographic Studies of (1,4-η-5-exo-Benzylcyclopenta-1,3-diene) dicarbonyl(triphenylphosphine)iron(0), (1), and Dicarbonyl(η- cyclopentadienyl)(triphenylphosphine)iron(II)1,1,2,3,3-Pentacyanopropenide, (2) J. Chem. Soc., Dalton Trans. 1979, 629-635
17. 5) and Evidence for Reaction of Carbon Monoxide with 17-Electron Radicals J. Am. Chem. Soc. 1985, 107, 2694
18. 6 (M = Cr, Mo, W) J. Am. Chem. Soc. 1982, 104, 2944-2945
19. Stiegman, A. E.; Tyler, D. R. Photochemical Disproportionation of Metal-Metal Bonded Carbonyl Dimers Coord. Chem. Rev. 1985, 63, 217-240
20. 6] J. Am. Chem. Soc. 1983, 105, 6032-6037
21. 6 Complex with Triphenylphosphine Inorg. Chem. 1986, 25, 4434-4436
22. • with a Lewis Base J. Am. Chem. Soc. 2006, 128, 3152-3153
23. Cahoon, J. F.; Kling, M. F.; Sawyer, K. R.; Andersen, L. K.; Harris, C. B. DFT and Time-resolved IR Investigation of Electron Transfer Between Photogenerated 17- and 19-Electron Organometallic Radicals J. Mol. Struct. 2008, 890, 328-338
24. Hamm, P.; Kaindl, R. A.; Stenger, J. Noise Suppression in Femtosecond Mid-infrared Light Sources Opt. Lett. 2000, 25, 1798-1800
25. OriginPro, version 8.0; OriginLab: Northampton, MA, 2007.
26. Becke, A. D. Density-functional Thermochemistry III. The Role of Exact Exchange J. Chem. Phys. 1993, 98, 5648-5652
27. Perdew, J. P. Density-Functional Approximation for the Correlation Energy of the Inhomogeneous Electron Gas Phys. Rev. B 1986, 33, 8822-8824
28. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.;. Gaussian 09, revision B.01; Gaussian Inc.: Wallingford, CT, 2009.
29. Hay, P. J.; Wadt, W. R. Ab Initio Effective Core Potentials for Molecular Calculations. Potentials for K to Au Including the Outermost Core Orbitals J. Chem. Phys. 1985, 82, 299-311
30. Dunning, T. H.; Hay, P. J. Methods of Electronic Structure Theory; Plenum: New York, 1977; Vol. 2.
31. Hehre, W. J.; Ditchfield, R.; Pople, J. A. Self-Consistent Molecular Orbital Methods XII. Further Extensions of Gaussian-Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules J. Chem. Phys. 1972, 56, 2257-2261
32. Francl, M. M.; Petro, W. J.; Hehre, W. J.; Binkley, J. S.; Gordon, M. S.; DeFrees, D. J.; Pople, J. A. Self-Consistent Molecular Orbital Methods XXIII. A Polarization-Type Basis Set for Second-Row Elements J. Chem. Phys. 1982, 77, 3654-3665
33. Rassolov, V.; Pople, J. A.; Ratner, M.; Windus, T. L. 6-31G* Basis Set for Atoms K through Zn J. Chem. Phys. 1998, 109, 1223
34. Hieber, W.; Beck, W.; Zeitler, G. Neuere Anscauugen über Reaktionswelsen der Metallcarbonyle, insbesondere des Mangancarbonyls Angew. Chem. 1961, 73, 364-368
35. 10 in flüssigem Ammoniak Z. Anorg. Allgem. Chem. 1967, 349, 241-250
36. 5] J. Organomet. Chem. 1978, 152, 329-336
37. McCullen, S. B.; Brown, T. L. Photochemical Reaction of Decacarbonyldimanganese with Pyridine: Evidence for a Radical Pathway Inorg. Chem. 1981, 20, 3528-3533
38. Hallock, S. A.; Wojcicki, A. Photochemical Homolysis of the Manganese-Manganese Bond in Decacarbonyldimanganese J. Organomet. Chem. 1973, 54, C27-C29
39. 5 J. Organomet. Chem. 1975, 92, C11-C14
40. 5) Manganese(II) J. Organomet. Chem. 1976, 110, C5-C8
41. 10 with Nitrogen Donor Ligands Inorg. Chem. 1984, 23, 527-529
42. Fawcett, J. P.; Jackson, R. A.; Poë, A. Reaction Mechanisms of Metal-Metal Bonded Carbonyls; Substitution via Homolytic Fission J. Chem. Soc., Chem. Commun. 1975, 733-734
43. 5 J. Chem. Soc., Chem. Commun. 1981, 1052
44. Poë, A. Bimolecular Substitution and Oxidation Reactions of 17-Electron Pentacoordinate Metal Carbonyl Radicals Trans. Met. Chem. (Netherlands) 1982, 7, 65-69
45. Herrinton, T. R.; Brown, T. L. Substitution of Manganese Pentacarbonyl is Associative J. Am. Chem. Soc. 1985, 107, 5700-5703
46. McCullen, S. B.; Walker, H. W.; Brown, T. L. Direct Observation of Substitution Reactions of Tricarbonylbis(phosphine)manganese Radicals J. Am. Chem. Soc. 1982, 104, 4007-4008
47. Osborne, A. G.; Stiddard, M. H. B. Photochemically Produced Tertiary-phosphine Derivatives of Decacarbonyldimanganese J. Chem. Soc. 1964, 634-636
48. Zeigler, M. L.; Haas, H.; Sheline, R. K. Die Photochmische Darstellung von Mangancarbonylderivaten Chem. Ber. 1965, 98, 2454-2459
49. Stiegman, A. E.; Goldman, A. S.; Philbin, C. E.; Tyler, D. R. Photochemical Disproportionation of Decacarbonyldimanganese Nineteen-Electron Intermediates and Ligand and Intensity Dependence Inorg. Chem. 1986, 25, 2976-2979
50. 10 J. Organomet. Chem. 1983, 246, 183-188
51. Allen, D. M.; Cox, A.; Kemp, T. J.; Sultana, R. B.; Pitt, R. B. Photochemistry of Some Binuclear Carbonyl Compounds of Manganese, Rhenium, Molybdenum, and Tungsten, and of Some Related Pentacarbonyl Halides in n -Donor Solvents J. Chem. Soc., Dalton Trans. 1976, 1189-1193
52. 10 with 400 nm Excitation Chem. Phys. Lett. 2002, 361, 513-519
53. 5 Radical J. Am. Chem. Soc. 1999, 121, 9227-9228
54. Yang, H.; Snee, P. T.; Kotz, K. T.; Payne, C. K.; Harris, C. B. Femtosecond Infrared Study of the Dynamics of Solvation and Solvent Caging J. Am. Chem. Soc. 2001, 123, 4204-4210
55. + (M = Chromium, Molybdenum, Tungsten) Inorg. Chem. 1992, 31, 4051-4052
56. Huang, Y.; Carpenter, G. B.; Sweigart, D. A.; Chung, Y. K.; Lee, B. Y. Ligand Substitution at 17-Electron Centers. Electroactivation of Functionalized Cyclopentadienylmanganese Tricarbonyl Complexes to Single- and Double-CO Substitution Organometallics 1995, 14, 1423-1428
57. 5) Organometallics. 1989, 8, 2113-2120
58. Szaciłowski, K.; Macyk, W.; Grazyna, S.; Stasicka, Z.; Sostero, S.; Traverso, O. Ligand and Medium Controlled Photochemistry of Iron and Ruthenium Mixed-Ligand Complexes: Prospecting for Versatile Systems Coord. Chem. Rev. 2000, 208, 277-297
59. Anfinrud, P. A.; Han, C.; Lian, T.; Hochstrasser, R. M. Evolution of the Transient Vibrational Spectrum Following Short-Pulse Excitation J. Phys. Chem. 1990, 94, 1180-1184
60. Anfinrud, P. A.; Han, C.; Lian, T.; Hochstrasser, R. M. Femtosecond Infrared Spectroscopy: Ultrafast Photochemistry of Iron Carbonyls in Solution J. Phys. Chem. 1991, 95, 574
61. Lian, T.; Knolodenko, Y.; Lock, B.; Hochstrasser, R. M. Third-Order Nonlinearities Studied by Femtosecond Infrared Methods J. Phys. Chem. 1995, 99, 7272-7280
62. Moore, J. N.; Hansen, P. A.; Hochstrasser, R. M. Picosecond Infrared Probing of Metal Carbonyl Photodissociation Products J. Am. Chem. Soc. 1989, 111, 4563-4566
63. 5) Studied by Picosecond Time-Resolved Spectroscopy J. Phys. Chem. 1996, 100, 201-206
64. 5) in Hydrocarbon and Tetrahydrofuran Solution at Room Temperature: a Mechanistic Study with Time-resolved Infrared Spectroscopy J. Am. Chem. Soc. 1992, 114, 1719-1729
65. 5)] in Room-temperature Solution J. Chem. Soc., Chem. Commun. 1984, 972-974
66. 2 in Polar and Non-Polar Solvents J. Photochem. Photobiol., A 1997, 103, 221-226
67. Sostero, S.; Rehorek, D.; Polo, E.; Traverso, O. Spin Trapping and Some Reactions of Ruthenium-Centred Radicals Inorg. Chim. Acta 1993, 209, 171-176
68. 2H, Where M = Ru and Os Organometallics 2001, 20, 775-781
69. 2 (R = H, Me) Complexes J. Cluster Sci. 2004, 15, 469-487
70. Adams, R. D.; Cotton, F. A. Structural and Dynamic Properties of Dicyclopenta-dienylhexacarbonyldimolybdenum in Various Solvents Inorg. Chim. Acta 1973, 7, 153-156
71. 5-cyclopentadienyl) hexacarbonylditungsten and its Molybdenum Analog Inorg. Chem. 1974, 13, 1086-1090
72. 3 in n- Heptane Solution at Room Temperature by Fast Time-Resolved Infrared Spectroscopy Organometallics 1995, 14, 1503-1506
73. 2: A Fast Time-resolved Infrared Spectroscopic Study Organometallics 2001, 20, 1515-1520
74. 2, where M = Cr, Mo and W, and Their Ring-Coupled Analogs Coord. Chem. Rev. 2001, 211, 235-254
75. Baiz, C. R.; McCanne, R.; Kubarych, K. J. Structurally Selective Geminate Rebinding Dynamics of Solvent-Caged Radicals Studied with Nonequilibrium Infrared Echo Spectroscopy J. Am. Chem. Soc. 2009, 131, 13590-13591
76. 3H (M = Mo, W) and Bases J. Am. Chem. Soc. 2006, 128, 3486-3487
77. 2 (M = W, Mo). Cross-Coupling and Ligand Substitution Reactions of Electrochemically Generated Organometallic Radicals J. Electroanal. Chem. 1995, 393, 75-86
78. Harris, J. D.; Oelkers, A. B.; Tyler, D. R. The Solvent Cage Effect: Is There a Spin Barrier to Recombination of Transition Metal Radicals? J. Am. Chem. Soc. 2007, 129, 6255-6262
79. Stiegman, A. E.; Goldman, A. S.; Leslie, D. B.; Tyler, D. R. Photochemically Generated Organometallic Radicals as Reducing Agents J. Chem. Soc., Chem. Commun. 1984, 632-633
80. Goldman, A. S.; Tyler, D. R. Photochemically Initiated Electron Transfer Catalyzed Substitution Reactions of Metal Carbonyl Complexes Inorg. Chim. Acta 1985, 98, L47-L48
81. Julliard, M.; Chanon, M. Photoelectron-transfer Catalysis: Its Connections with Thermal and Electrochemical Analogs Chem. Rev. 1983, 83, 425-506
82. Saveant, J. M. Catalysis of Chemical Reactions by Electrodes Acc. Chem. Res. 1980, 13, 323-329
83. Chanon, M.; Tobe, M. L. ETC: A Mechanistic Concept for Inorganic and Organic Chemistry Angew. Chem., Int. Ed. Engl. 1982, 21, 1-23