Reaction Operators for Radical Pairs. The Exactly Solvable Model
-
Petr A. Purtov
Abstract
In the present work, the reaction operator for radical pairs of the main equation of spin chemistry has been modified on the basis of an exactly solvable model. The model contains both the reversible and irreversible transitions. For this model, expression for the reaction operator is more complex due to the expanded basis of spin states. The reaction operator of a phenomenological equation is a particular case of a more general approach and only in the limiting case of the completely irreversible recombination process, these operators coincide.
Dedicated to: Kev Salikhov on the occasion of his 80th birthday.
References
1. R. Kaptein, J. L. Oosterhoff, Chem. Phys. Lett. 4 (1969) 195.10.1016/0009-2614(69)80098-9Search in Google Scholar
2. F. J. J. De Kanter, R. Kaptein, Chem. Phys. Lett. 45 (1977) 575.10.1016/0009-2614(77)80093-6Search in Google Scholar
3. K. M. Salikhov, Yu. N. Molin, R. Z. Sagdeev, A. L. Buchachenko, in Spin Polarization and Magnetic Effects in Radical Reactions, (Ed. Yu. N. Molin) Elsevier, Amsterdam (1984).Search in Google Scholar
4. U. E. Steiner, T. Ulrich, Chem. Rev. 89 (1989) 51.10.1021/cr00091a003Search in Google Scholar
5. N. E. Polyakov, P. A. Purtov, T. V. Leshina, K. M. Salikhov, R. Z. Sagdeev, Chem. Phys. Lett. 129 (1986) 357.10.1016/0009-2614(86)80358-XSearch in Google Scholar
6. A. M. Osintsev, P. A. Purtov, K. M. Salikhov, Khimicheskaya Fizika 11 (1992) 1192.Search in Google Scholar
7. A. M. Osintsev, P. A. Purtov, K. M. Salikhov, Chem. Phys. 174 (1993) 237.10.1016/0301-0104(93)87008-BSearch in Google Scholar
8. P. A. Purtov, A. B. Doktorov, Chem. Phys. 178 (1993) 47.10.1016/0301-0104(93)85050-ISearch in Google Scholar
9. S. Nagakura, H. Hayashi, T. Azumi (Eds.), Dynamic Spin Chemistry. Magnetic Controls and Spin Dynamics of Chemical Reactions, Kodansha and Wiley, Tokyo and New York, Japan and U.S.A. (1998).Search in Google Scholar
10. E. Bagryanskaya, H. Yashiro, M. Fedin, P. Purtov, M. D. E. Forbes, J. Phys. Chem. A, 106 (2002) 2820.10.1021/jp012271hSearch in Google Scholar
11. A. Parnachev, P. Purtov, E. Bagryanskaya, J. Chem. Phys. 107 (1997) 9942.10.1063/1.475297Search in Google Scholar
12. E. A. Khramtsova, D. V. Sosnovsky, A. A. Ageeva, E. Nuin, M. L. Marin, P. A. Purtov, S. S. Borisevich, S. L. Khursan, H. D. Roth, M. A. Miranda, V. F. Plyusnin, T. V. Leshina, Phys. Chem. Chem. Phys. 18 (2016), 12733.10.1039/C5CP07305GSearch in Google Scholar
13. J. B. Pedersen, J. H. Freed, J. Chem. Phys. 58 (1973) 2746.10.1063/1.1679576Search in Google Scholar
14. J. B. Pedersen, J. H. Freed, J. Chem. Phys. 59 (1973) 2869.10.1063/1.1680418Search in Google Scholar
15. J. B. Pedersen, J. H. Freed, J. Chem. Phys. 61 (1974) 1517.10.1063/1.1682096Search in Google Scholar
16. K. M. Salikhov, F. S. Sarvarov, R. Z. Sagdeev and Yu. N. Molin, Kinet. i Kat. 16 (1975) 279.Search in Google Scholar
17. F. S. Sarvarov, K. M. Salikhov, React. Kinetics Catal. Lett. 4 (1976) 33.10.1007/BF02073967Search in Google Scholar
18. G. T. Evans, P. D. Fleming, P. G. Lawler, J. Chem. Phys. 58 (1973) 2071.10.1063/1.1679472Search in Google Scholar
19. R. Haberkorn, Mol. Phys. 32 (1976) 1491.10.1080/00268977600102851Search in Google Scholar
20. M. Tomkievicz, A. Groen, M. J. Cocivera, Chem. Phys. 56 (1972) 5850.10.1063/1.1677127Search in Google Scholar
21. I. V. Koptyug, N. N. Lukzen, E. G. Bagryanskaya, A. B. Doktorov, Chem. Phys. Lett. 175 (1990) 467.10.1016/0009-2614(90)85565-TSearch in Google Scholar
22. A. I. Shushin, Chem. Phys. Lett. 181 (1991) 274.10.1016/0009-2614(91)90366-HSearch in Google Scholar
23. S. I. Kubarev, S. V. Sheberstov, A. S. Shustov, Chem. Phys. Lett. 73 (1980) 370.10.1016/0009-2614(80)80391-5Search in Google Scholar
24. S. A. Mikhailov, P. A. Purtov, A. B. Doktorov, Chem. Phys. 166 (1992) 35.10.1016/0301-0104(92)87003-RSearch in Google Scholar
25. V. L. Berdinskii, I. N. Yakunin, Dokl. Phys. Chem. 421 (2008) 163.10.1134/S0012501608070026Search in Google Scholar
26. I. K. Kominis, Phys. Rev. E 80 (2009) 056115.10.1103/PhysRevE.80.056115Search in Google Scholar
27. J. A. Jones, P. J. Hore, Chem. Phys. Lett. 488 (2010) 90.10.1016/j.cplett.2010.01.063Search in Google Scholar
28. B. Misra, E. C. G. Sudarshan, J. Math. Phys. 18 (1977) 756.10.1063/1.523304Search in Google Scholar
29. P. Facchi, S. Pascazio, Fortschr. Phys. 49 (2001) 941.10.1002/1521-3978(200110)49:10/11<941::AID-PROP941>3.0.CO;2-VSearch in Google Scholar
30. P. A. Purtov, Chem. Phys. Lett. 496 (2010) 335.10.1016/j.cplett.2010.07.006Search in Google Scholar
31. M. Bixon, J. Jortner, J. Chem. Phys. 107 (1997) 5154.10.1063/1.474878Search in Google Scholar
32. E. Meggers, M. E. Michel-Beyerle, B. Giese, J. Am. Chem. Soc. 120 (1998) 12950.10.1021/ja983092pSearch in Google Scholar
33. J. C. Genereux, K. E. Augustyn, M. L. Davis, F. Shao, J. K. Barton, J. Am. Chem. Soc. 130 (2008) 15150.10.1021/ja8052738Search in Google Scholar
34. D. V. Sosnovsky, P. A. Purtov, Chem. Phys. Lett. 608 (2014) 136.10.1016/j.cplett.2014.05.068Search in Google Scholar
35. K. L. Ivanov, M. V. Petrova, N. N. Lukzen, K. Maeda, J. Phys. Chem. A 114 (2010) 9447.10.1021/jp1048265Search in Google Scholar
36. R. A. Harris, J. Chem. Phys. 39 (1963) 978.10.1063/1.1734401Search in Google Scholar
37. M. Bixon, J. Jortner, J. Chem. Phys. 48 (1968) 715.10.1063/1.1668703Search in Google Scholar
38. P. Avouris, W. M. Gelbert, M. A. El-Sayed, Chem. Rev. 77 (1977) 793.10.1021/cr60310a002Search in Google Scholar
39. A. P. Grecos, Adv. Chem. Phys. 38 (1978) 143.10.1017/S0022050700088215Search in Google Scholar
40. A. E. Hansen, T. D. Bouman, Adv. Chem. Phys. 44 (1980) 545.Search in Google Scholar
41. L. Mover, Phys. Rev. 142 (1966) 799.10.1103/PhysRev.142.799Search in Google Scholar
©2017 Walter de Gruyter GmbH, Berlin/Boston
Articles in the same Issue
- Frontmatter
- Preface
- Editorial Review
- From Free Radicals and Spin-Chemistry Over Spin-Dynamics and Hyperpolarization to Biology and Materials Science
- On Relations Between Singlet and Triplet Recombination Yields for Singlet and Triplet Precursors
- The Quantum Dynamical Basis of a Classical Kinetic Scheme Describing Coherent and Incoherent Regimes of Radical Pair Recombination
- Reaction Operators for Radical Pairs. The Exactly Solvable Model
- Estimation of the Fraction of Spin-Correlated Radical Ion Pairs in Irradiated Alkanes using Magnetosensitive Recombination Luminescence from Exciplexes Generated upon Recombination of a Probe Pair
- Theoretical Description of Pulsed RYDMR: Refocusing Zero-Quantum and Single Quantum Coherences
- A Transient EPR Study of Electron Transfer in Tetrathiafulvalene-Aluminum(III) Porphyrin-Anthraquinone Supramolecular Triads
- Solvent Radical Anions in Irradiated Aliphatic Ketones and Esters as Observed Using Time-Resolved Magnetic Field Effects in the Recombination Fluorescence
- Effect of Dehydrated Trehalose Matrix on the Kinetics of Forward Electron Transfer Reactions in Photosystem I
- Photo-CIDNP in the Reaction Center of the Diatom Cyclotella meneghiniana Observed by 13C MAS NMR
- Light-Stimulated Generation of Free Radicals by Quinones-Chelators
- Influence of C2-Methylation of Imidazolium Based Ionic Liquids on Photoinduced Spin Dynamics of the Dissolved ZnTPP Studied by Time-Resolved EPR
- ESR Study of Electron States in Ge/Si Heterostructures with Nanodisc Shaped Quantum Dots
- Novel Anthrathiophene-Based Small Molecules as Donor Material for Organic Photovoltaics: Synthesis and Light-Induced EPR Study
- Structural Determination of a DNA Oligomer for a Molecular Spin Qubit Lloyd Model of Quantum Computers
Articles in the same Issue
- Frontmatter
- Preface
- Editorial Review
- From Free Radicals and Spin-Chemistry Over Spin-Dynamics and Hyperpolarization to Biology and Materials Science
- On Relations Between Singlet and Triplet Recombination Yields for Singlet and Triplet Precursors
- The Quantum Dynamical Basis of a Classical Kinetic Scheme Describing Coherent and Incoherent Regimes of Radical Pair Recombination
- Reaction Operators for Radical Pairs. The Exactly Solvable Model
- Estimation of the Fraction of Spin-Correlated Radical Ion Pairs in Irradiated Alkanes using Magnetosensitive Recombination Luminescence from Exciplexes Generated upon Recombination of a Probe Pair
- Theoretical Description of Pulsed RYDMR: Refocusing Zero-Quantum and Single Quantum Coherences
- A Transient EPR Study of Electron Transfer in Tetrathiafulvalene-Aluminum(III) Porphyrin-Anthraquinone Supramolecular Triads
- Solvent Radical Anions in Irradiated Aliphatic Ketones and Esters as Observed Using Time-Resolved Magnetic Field Effects in the Recombination Fluorescence
- Effect of Dehydrated Trehalose Matrix on the Kinetics of Forward Electron Transfer Reactions in Photosystem I
- Photo-CIDNP in the Reaction Center of the Diatom Cyclotella meneghiniana Observed by 13C MAS NMR
- Light-Stimulated Generation of Free Radicals by Quinones-Chelators
- Influence of C2-Methylation of Imidazolium Based Ionic Liquids on Photoinduced Spin Dynamics of the Dissolved ZnTPP Studied by Time-Resolved EPR
- ESR Study of Electron States in Ge/Si Heterostructures with Nanodisc Shaped Quantum Dots
- Novel Anthrathiophene-Based Small Molecules as Donor Material for Organic Photovoltaics: Synthesis and Light-Induced EPR Study
- Structural Determination of a DNA Oligomer for a Molecular Spin Qubit Lloyd Model of Quantum Computers
