Reduction of earth alkaline metal salts in THF solution studied by picosecond pulse radiolysis

Journal of Physical Chemistry A

Volumn 117, Issue 51, 2013, Pages 14048-14055

  Ma, Jun ^a   Archirel, Pierre ^a   Schmidhammer, Uli ^a   Teuler, Jean Marie ^a   Pernot, Pascal ^a   Mostafavi, Mehran ^a  

^a UNIVERSITÉ PARIS SUD   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATED SPECTRUM; MONTE CARLO CODES; NUMBER OF SPECIES; PICOSECOND PULSE RADIOLYSIS; SOLVATED ELECTRON; TETRAHYDROFURANS; UV-VISIBLE SPECTRA; WAVELENGTH RANGES;

ELECTROMAGNETIC WAVE ABSORPTION; ELECTRONS; INFRARED DEVICES; METALS; MOLECULES; MONTE CARLO METHODS; POSITIVE IONS; RADIOLYSIS; ULTRASHORT PULSES;

ORGANIC SOLVENTS;

EID: 84891413288     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp410598y     Document Type: Article

References (42)

1. Hart, E. J.; Boag, J. W. Absorption Spectrum of the Hydrated Electron in Water and in Aqueous Solutions J. Am. Chem. Soc. 1962, 84, 4090-4095
2. Solvated Electron; Gould, R. F., Ed.; Advances in Chemistry Series, No. 50; American Chemical Society: Washington, DC, 1965.
3. Baxendale, J. H.; Wardaman, P. Direct Observation of Solvation of the Electron in Liquid Alcohols by Pulse Radiolysis Nature. 1971, 230, 449-450
4. Chase, W. J.; Hunt, J.W. Solvation Time of The Electron in Polar Liquids. Water and Alcohols J. Phys. Chem. 1975, 79, 2835-2845
5. Delaire, J. A.; Delcourt, M. O.; Belloni, J. Mobilities of Solvated Electrons in Polar Solvents from Scavenging Rate Constants J. Phys. Chem. 1980, 84, 1186-1189
6. Holroyd, R. A. The Electron: its Properties and Reactions. In Radiation Chemistry, Principles and Applications; Farhaziz; Rodgers, M. A. J., Eds.; VCH: New York, 1987; p 201.
7. Rossy, P. J.; Schnitker, J. The Hydrated Electron: Quantum Simulation of Structure, Spectroscopy, and Dynamic J. Phys. Chem. 1988, 92, 4277-4285
8. Jou, F. Y.; Freeman, G. R. Shape of Optical Spectra of Solvated Electrons. Effect of Pressure J. Phys. Chem. 1977, 81, 909-915
9. Schnitker, J.; Rossky, P. J. Quantum Simulation Study of the Hydrated Electron J. Chem. Phys. 1987, 86, 3471-3485
10. Rossky, P. J.; Schnitker, J. The Hydrated Electron-Quantum Simulation of Structure, Spectroscopy, and Dynamics J. Phys. Chem. 1988, 92, 4277-4285
11. Motakabbir, K. A.; Schnitker, J.; Rossky, P. J. Transient Photophysical Hole-Burning Spectroscopy of the Hydrated Electron-a Quantum Dynamical Simulation J. Chem. Phys. 1989, 90, 6916-6924
12. Bratos, S.; Leicknam, J. C. Ultrafast Transient Absorption Spectroscopy of the Hydrated Electron: a Theory Chem. Phys. Lett. 1996, 261, 117-122
13. Bratos, S.; Leicknam, J. C.; Borgis, D.; Staib, A. Subpicosecond Pump-Probe Absorption of the Hydrated Electron: Nonlinear Response Theory and Computer Simulation Phys. Rev. E. 1997, 55, 7217-7227
14. Nicolas, C.; Boutin, A.; Levy, B.; Borgis, D. Molecular Simulation of a Hydrated Electron at Different Thermodynamic State Points J. Chem. Phys. 2003, 118, 9689-9696
15. Buxton, G. V.; Greenstock, C. L.; Helman, W. P.; Ross, A. B. Critical-Review of Rate Constants for Reactions of Hydrated Electrons, Hydrogen-Atoms and Hydroxyl Radicals (•OH/•Ō) in Aqueous-Solution J. Phys. Chem. Ref. Data. 1988, 17, 513-886
16. Buxton, G. V.; Mulazzani, Q. G.; Ross, A. B. Critical-Review of Rate Constants for Reactions of Transients from Metal-Ions and Metal-Complexes in Aqueous-Solution J. Phys. Chem. Ref. Data. 1995, 24, 1055-1349
17. Bram, G.; Peralez, E.; Negrel, J. C.; Chanon, M. Victor Grignard and the Birth of his Reagent C.R.. Acad. Sci. Paris 1997, 325, 235-240
18. Bickelhaupt, F. Organomagnesium Chemistry-Nearly 100 Years but Still Fascinating J. Organomet. Chem. 1994, 475, 1-14
19. Garst, J.; Hungvary, F. In Grignard Reagents. New Developments; Richey, H. G., Ed.; J. Wiley: New York, 2000.
20. Kruczynski, T.; Pushkarevsky, N.; Henke, P.; Koppe, R.; Baum, E.; Konchenko, S.; Pikies, J.; Schnockel, H. Hunting for the Magnesium(I) Species: Formation, Structure, and Reactivity of some Donor-Free Grignard Compounds Angew. Chem., Int. Ed. 2012, 51, 9025-9029
21. Renou, F.; Mostafavi, M. Reactivity of the Solvated Electron toward Divalent Magnesium Chem. Phys. Lett. 2001, 335, 363-368
22. Renou, F.; Mostafavi, M.; Archirel, P.; Bonazzola, L.; Pernot, P. Solvated Electron Pairing with Earth Alkaline Metals in THF. 1. Formation and Structure of the Pair with Divalent Magnesium J. Phys. Chem. A. 2003, 107, 1506-1516
23. Belloni, J.; Monard, H.; Gobert, F.; Larbre, J. P.; Demarque, A.; De Waele, V.; Lampre, I.; Marignier, J. L.; Mostafavi, M.; Bourdon, J. C. ELYSE-A Picosecond Electron Accelerator for Pulse Radiolysis Research Nucl. Instrum. Methods Phys. Res., Sect. A 2005, 539, 527-539
24. Marignier, J. L.; de Waele, V.; Monard, H.; Gobert, F.; Larbre, J. P.; Demarque, A.; Mostafavi, M.; Belloni, J. Time-Resolved Spectroscopy at the Picosecond Laser-Triggered Electron Accelerator ELYSE Radiat. Phys. Chem. 2006, 75, 1024-1033
25. Schmidhammer, U.; Pernot, P.; De Waele, V.; Jeunesse, P.; Demarque, A.; Murata, S.; Mostafavi, M. Distance Dependence of the Reaction Rate for the Reduction of Metal Cations by Solvated Electrons: a Picosecond Pulse Radiolysis Study J. Phys. Chem. A 2010, 114, 12042-12051
26. Schmidhammer, U.; El Omar, A. K.; Balcerzyk, A.; Mostafavi, M. Transient Absorption Induced by a Picosecond Electron Pulse in the Fused Silica Windows of an Optical Cell Radiat. Phys. Chem. 2012, 81, 1715-1719
27. Schmidhammer, U.; Jeunesse, P.; Stresing, G.; Mostafavi, M. A Broadband Ultrafast Transient Absorption Spectrometer Covering the Near-Infrared (NIR) Down to the Green. Appl. Spectrosc. Submitted for publication, 2013.
28. Muroya, Y.; Lin, M. Z.; Wu, G. Z.; Iijima, H.; Yoshi, K.; Ueda, T.; Kudo, H.; Katsumura, Y. A Re-evaluation of the Initial Yield of the Hydrated Electron in the Picosecond Time Range Radiat. Phys. Chem. 2005, 72, 169-172
29. Tauler, R. Multivariate Curve Resolution Applied to Second Order Data Chemom. Intell. Lab. Syst. 1995, 30, 133-146
30. Ruckebusch, C.; Sliwa, M.; Pernot, P.; de Juan, A.; Tauler, R. Comprehensive Data Analysis of Femtosecond Transient Absorption Spectra: A Review J. Photochem. Photobiol. C 2012, 13, 1-27
31. Golub, G. H.; Van Loan, C. F. Matrix Computation, 2nd ed.; The John Hopkins University Press: London, 1989.
32. Mullen, K.M. ALS: Multivariate Curve Resolution Alternating Least Squares (MCR-ALS). R package version 0.0.5. http://CRAN.R-project.org/package=ALS ] in the R language [R Core Team (2012). R: A language and environment for statistical computing; R Foundation for Statistical Computing, Vienna, Austria, 2012; http://www.R-project.org.
33. Ungerer, P.; Tavitian, B.; Boutin, A. Applications of Molecular Simulation in the Oil and Gas Industry Monte Carlo Methods, Editions Technip: Paris, 2005.
34. 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.; Nakatsuji, H.; Caricato, M.; Li, X.; Hratchian, H. P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, J. A., Jr.; Peralta, P. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E.; Kudin, K. N.; Staroverov, V. N.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Rega, N.; Millam, N. J.; Klene, M.; Knox, J. E.; 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.; Martin, R. L.; Morokuma, K.; Zakrzewski, V. G.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Dapprich, S.; Daniels, A. D.; Farkas, Ö.; Ortiz, J. V.; Cioslowski, J.; Fox, D. J. Gaussian 09, revision A.02; Gaussian, Inc.: Wallingford, CT, 2009.
35. Marenich, A. V.; Cramer, C. J.; Truhlar, D. J. Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions J. Phys. Chem. B 2009, 113, 6378-6396
36. Becke, A. D. Density-Functional Thermochemistry 0.3. The Role of Exact Exchange J. Chem. Phys. 1993, 98, 5648-5652
37. Fuentealba, P.; Preuss, H.; Stoll, H.; Szentpaly, L. A Proper Account of Core-polarization with Pseudopotentials: Single Valence-Electron Alkali Compounds Chem. Phys. Lett. 1989, 89, 418-422
38. Jou, F. Y.; Dorfman, L. M. Pulse radiolysis studies. XXI. Optical Absorption Spectrum of the Solvated Electron in Ethers and in Binary Solutions of these Ethers J. Chem. Phys. 1973, 58, 4715-4723
39. Salmon, G. A.; Sedddon, W. A.; Fletcher, J. W. Pulse Radiolysis of Solvated Electrons, Ions Pairs, and Alkali Metal Anions in Tetrahydrofuran Can. J. Chem. 1974, 52, 3259-3268
40. Saeki, A.; Kozawa, T.; Ohnishi, Y.; Tagawa, S. Reactivity between Biphenyl and Precursor of Solvated Electron in THF Measured by Picosecond Pulse Radiolysis in Near-Ultraviolet Visible and Infrared J. Phys. Chem. A 2007, 111, 1229-1235
41. Cipollini, N. E.; Holroyd, R. A.; Nishikawa, M. Zero Field Mobility of Excess Electrons in Dense Methane Gas J. Chem. Phys. 1977, 67, 4636-4639
42. Renou, F.; Archirel, P.; Pernot, P.; Lévy, B.; Mostafavi, M. Pulse Radiolysis Study of Solvated Electron Pairing with Alkaline Earth Metals in Tetrahydrofuran. 3. Splitting of p-like Excited States of Solvated Electron Perturbed by Metal Cations J. Phys. Chem. A 2004, 108, 987-995