Spin polarization transfer by the radical pair mechanism

Zarea, Mehdi; Ratner, Mark A.; Wasielewski, Michael R.

doi:10.1063/1.4927589

Spin polarization transfer by the radical pair mechanism

Journal Article · Mon Aug 03 00:00:00 EDT 2015 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4927589· OSTI ID:1370623

Zarea, Mehdi ^[1]; Ratner, Mark A. ^[1]; Wasielewski, Michael R. ^[1]

Northwestern Univ., Evanston, IL (United States). Dept. of Chemistry, and Argonne-Northwestern Solar Energy Research (ANSER) Center

In a three-site representation, we study a spin polarization transfer from radical pair spins to a nearby electron or nuclear spin. The quantum dynamics of the radical pair spins is governed by a constant exchange interaction between the radical pair spins which have different Zeeman frequencies. Radical pair spins can recombine to the singlet ground state or to lower energy triplet states. It is then shown that the coherent dynamics of the radical pair induces spin polarization on the nearby third spin in the presence of a magnetic field. The spin polarization transfer depends on the difference between Zeeman frequencies, the singlet and triplet recombination rates, and on the exchange and dipole-dipole interactions between the different spins. Specifically, the sign of the polarization depends on the exchange coupling between radical pair spins and also on the difference between singlet and triplet recombination rate constants.

View Accepted Manuscript (DOE)

Research Organization:: Energy Frontier Research Centers (EFRC), Washington D.C. (United States). Center for Bio-Inspired Energy Science (CBES)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: SC0000989

OSTI ID:: 1370623

Alternate ID(s):: OSTI ID: 22493479

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 5 Vol. 143; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

References (63)

The transient EPR spectra and spin dynamics of coupled three-spin systems in photosynthetic reaction centres Salikhov, K. M.; van der Est, A. J.; Stehlik, D. Applied Magnetic Resonance, Vol. 16, Issue 1 https://doi.org/10.1007/BF03161916	journal	January 1999
Analysis of anisotropic electron spin polarization in the photosynthetic bacterium Rhodospirillum rubrum. Hore, P. J.; Riley, D. J.; Semlyen, J. J. Biochimica et Biophysica Acta (BBA) - Bioenergetics, Vol. 1141, Issue 2-3 https://doi.org/10.1016/0005-2728(93)90046-I	journal	March 1993
Electron spin emission spectra from pairs of radicals Atkins, P. W.; Dobbs, A. J.; McLauchlan, K. A. Chemical Physics Letters, Vol. 22, Issue 1 https://doi.org/10.1016/0009-2614(73)80572-X	journal	September 1973
Magnetic field dependent 13C and 1H CIDNP from biradicals. The role of the hyperfine coupling constant de Kanter, F. J. J.; Sagdeev, R. Z.; Kaptein, R. Chemical Physics Letters, Vol. 58, Issue 3 https://doi.org/10.1016/0009-2614(78)85048-9	journal	October 1978
Electron spin polarization in a three-electron spin system. An application to bacterial photosynthesis Hoff, A. J.; Hore, P. J. Chemical Physics Letters, Vol. 108, Issue 1 https://doi.org/10.1016/0009-2614(84)80376-0	journal	June 1984
Magnetic field dependence of intramolecular exciplex formation in polymethyelene-linked A–D systems Staerk, H.; Kühnle, W.; Treichel, R. Chemical Physics Letters, Vol. 118, Issue 1 https://doi.org/10.1016/0009-2614(85)85257-X	journal	July 1985
Electron paramagnetic resonance of spin-correlated radical pairs in photosynthetic reactions Hore, P. J.; Hunter, D. A.; McKie, C. D. Chemical Physics Letters, Vol. 137, Issue 6 https://doi.org/10.1016/0009-2614(87)80617-6	journal	July 1987
Electron spin resonance of spin-correlated radical pairs Buckley, C. D.; Hunter, D. A.; Hore, P. J. Chemical Physics Letters, Vol. 135, Issue 3 https://doi.org/10.1016/0009-2614(87)85162-X	journal	April 1987
A novel radical-triplet pair mechanism for chemically induced electron polarization (CIDEP) of free radicals in solution Blättler, C.; Jent, F.; Paul, H. Chemical Physics Letters, Vol. 166, Issue 4 https://doi.org/10.1016/0009-2614(90)85046-F	journal	March 1990
CIDEP study on photooxidation of N,N,N′,N′-tetramethyl-p-phenylenediamine by maleic anhydride. Enhanced S—T−1 mixing by radical-ion pair system Honma, Hidekazu; Murai, Hisao; Kuwata, Keiji Chemical Physics Letters, Vol. 195, Issue 2-3 https://doi.org/10.1016/0009-2614(92)86142-5	journal	July 1992
The relaxational mechanism of net CIDEP generation in triplet—radical quenching Shushin, A. I. Chemical Physics Letters, Vol. 208, Issue 3-4 https://doi.org/10.1016/0009-2614(93)89057-O	journal	June 1993
EPR of spin-correlated radical pairs. Analytical treatment of selective excitation including zero-quantum coherence Zwanenburg, G.; Hore, P. J. Chemical Physics Letters, Vol. 203, Issue 1 https://doi.org/10.1016/0009-2614(93)89312-6	journal	February 1993
Linearly varying level model of CIDEP generated by intersystem crossings Adrian, Frank J. Chemical Physics Letters, Vol. 229, Issue 4-5 https://doi.org/10.1016/0009-2614(94)01052-8	journal	November 1994
Chemically induced dynamic electron polarization. Examples; of S-T±1 polarization Trifunac, A. D.; Nelson, D. J.; Mottley, C. Journal of Magnetic Resonance (1969), Vol. 30, Issue 2 https://doi.org/10.1016/0022-2364(78)90100-2	journal	May 1978
Detailed analysis of the mechanism of net electron spin polarization in liquid phase triplet-radical quenching Shushin, A. I. Chemical Physics Letters, Vol. 313, Issue 1-2 https://doi.org/10.1016/S0009-2614(99)01020-9	journal	November 1999
A reassessment of the origin of photochemically induced dynamic nuclear polarization effects in solids Jeschke, G.; Matysik, J. Chemical Physics, Vol. 294, Issue 3 https://doi.org/10.1016/S0301-0104(03)00278-7	journal	November 2003
Spin-correlated radical pairs: microwave pulse effects on lifetimes, electron spin echo envelope modulations, and optimum conditions for detection by electron spin echo spectroscopy Timmel, C. R.; Fursman, C. E.; Hoff, A. J. Chemical Physics, Vol. 226, Issue 3 https://doi.org/10.1016/S0301-0104(97)00283-8	journal	January 1998
Time resolved electron spin resonance of spin correlated micelle confined radical pairs Tarasov, V. F.; Forbes, M. D. E. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Vol. 56, Issue 2 https://doi.org/10.1016/S1386-1425(99)00236-X	journal	February 2000
Field dependent CIDNP from photochemically generated radical ion pairs in rigid bichromophoric systems Wegner, Mathias; Fischer, Hanns; Grosse, Stefan Chemical Physics, Vol. 264, Issue 3 https://doi.org/10.1016/s0301-0104(01)00238-5	journal	March 2001
Magnetic field effects in chemical kinetics and related phenomena Steiner, Ulrich E.; Ulrich, Thomas Chemical Reviews, Vol. 89, Issue 1 https://doi.org/10.1021/cr00091a003	journal	January 1989
Electron Spin Polarization Transfer from Excited Triplet Porphyrins to a Nitroxide Radical via a Spin Exchange Mechanism Fujisawa, Jun-ichi; Ishii, Kazuyuki; Ohba, Yasunori The Journal of Physical Chemistry, Vol. 99, Issue 47 https://doi.org/10.1021/j100047a006	journal	November 1995
An electron spin polarization study of the interaction of photoexcited triplet molecules with mono- and polynitroxyl stable free radicals Turro, Nicholas J.; Khudyakov, Igor V.; Bossmann, Stefan H. The Journal of Physical Chemistry, Vol. 97, Issue 6 https://doi.org/10.1021/j100108a007	journal	February 1993
Electron spin polarization in radical-triplet pairs. Size and dependence on diffusion Goudsmit, Gert Hein; Paul, Henning; Shushin, Anatoly I. The Journal of Physical Chemistry, Vol. 97, Issue 50 https://doi.org/10.1021/j100152a031	journal	December 1993
Spin polarization generated in the triplet-doublet interaction: hyperfine-dependent chemically induced dynamic electron polarization Kawai, Akio; Okutsu, Tetsuo; Obi, Kinichi The Journal of Physical Chemistry, Vol. 95, Issue 23 https://doi.org/10.1021/j100176a020	journal	November 1991
First observation of a radical-triplet pair mechanism (RTPM) with doublet precursor Kawai, Akio; Obi, Kinichi The Journal of Physical Chemistry, Vol. 96, Issue 1 https://doi.org/10.1021/j100180a014	journal	January 1992
Memory of spin polarization in triplet-doublet systems Imamura, Takashi; Onitsuka, Osamu; Obi, Kinichi The Journal of Physical Chemistry, Vol. 90, Issue 26 https://doi.org/10.1021/j100284a001	journal	December 1986
Spin-polarized electron paramagnetic resonance spectra of radical pairs in micelles: observation of electron spin-spin interactions Closs, Gerhard L.; Forbes, Malcolm D. E.; Norris, James R. The Journal of Physical Chemistry, Vol. 91, Issue 13 https://doi.org/10.1021/j100297a026	journal	June 1987
Chemically induced dynamic electron polarization in pulse radiolysis. S-T.+-.1 polarization from hydrogen radical reactions Trifunac, A. D.; Nelson, D. J. Journal of the American Chemical Society, Vol. 99, Issue 1 https://doi.org/10.1021/ja00443a071	journal	January 1977
Origin of nuclear spin polarization in triplet dimerizations Closs, Gerhard L. Journal of the American Chemical Society, Vol. 93, Issue 6 https://doi.org/10.1021/ja00735a064	journal	March 1971
Chemically induced dynamic nuclear spin polarization derived from biradicals generated by photochemical cleavage of cyclic ketones, and the observation of a solvent effect on signal intensities Closs, G. L.; Doubleday, C. E. Journal of the American Chemical Society, Vol. 94, Issue 26 https://doi.org/10.1021/ja00781a056	journal	December 1972
Determination of the average singlet-triplet splitting in biradicals by measurement of the magnetic field dependence of CIDNP [chemically induced dynamic nuclear polarization] Closs, G. L.; Doubleday, C. E. Journal of the American Chemical Society, Vol. 95, Issue 8 https://doi.org/10.1021/ja00789a082	journal	April 1973
Magnetic Field-Induced Switching of the Radical-Pair Intersystem Crossing Mechanism in a Donor−Bridge−Acceptor Molecule for Artificial Photosynthesis Colvin, Michael T.; Ricks, Annie Butler; Scott, Amy M. Journal of the American Chemical Society, Vol. 133, Issue 5 https://doi.org/10.1021/ja1094815	journal	February 2011
A New Mechanism for Chemically Induced Dynamic Nuclear Polarization in the Solid State Jeschke, Gunnar Journal of the American Chemical Society, Vol. 120, Issue 18 https://doi.org/10.1021/ja973744u	journal	May 1998
Interaction between Polarized Triplets and Stable Radicals in Liquid Solutions Blank, Aharon; Levanon, Haim The Journal of Physical Chemistry A, Vol. 105, Issue 20 https://doi.org/10.1021/jp010033g	journal	May 2001
Electron Spin Polarization Transfer to the Charge-Separated State from Locally Excited Triplet Configuration: Theory and Its Application to Characterization of Geometry and Electronic Coupling in the Electron Donor−Acceptor System ^† Kobori, Yasuhiro; Fuki, Masaaki; Murai, Hisao The Journal of Physical Chemistry B, Vol. 114, Issue 45 https://doi.org/10.1021/jp102330a	journal	November 2010
Electron Spin Polarization Transfer from Photogenerated Spin-Correlated Radical Pairs to a Stable Radical Observer Spin Colvin, Michael T.; Carmieli, Raanan; Miura, Tomoaki The Journal of Physical Chemistry A, Vol. 117, Issue 25 https://doi.org/10.1021/jp4045012	journal	June 2013
Spin Dynamics of Radical Pairs with Restricted Geometries and Strong Exchange Coupling: The Role of Hyperfine Coupling Zarea, Mehdi; Carmieli, Raanan; Ratner, Mark A. The Journal of Physical Chemistry A, Vol. 118, Issue 24 https://doi.org/10.1021/jp5039283	journal	June 2014
Electron-Spin Polarizations Generated from Interactions between Excited Triplet Porphyrins and Stable Radicals Studied by Time-Resolved Electron Paramagnetic Resonance Fujisawa, Jun-ichi; Ohba, Yasunori; Yamauchi, Seigo The Journal of Physical Chemistry A, Vol. 101, Issue 4 https://doi.org/10.1021/jp9617433	journal	January 1997
Chemical compass model of avian magnetoreception Maeda, Kiminori; Henbest, Kevin B.; Cintolesi, Filippo Nature, Vol. 453, Issue 7193 https://doi.org/10.1038/nature06834	journal	April 2008
Simple rules for chemically induced dynamic nuclear polarization Kaptein, R. Journal of the Chemical Society D: Chemical Communications, Issue 14 https://doi.org/10.1039/c29710000732	journal	January 1971
TREPR spectra of micelle-confined spin correlated radical pairs: I. Molecular motion and simulations Tarasov, Valery F.; Jarocha, Lauren E.; Avdievich, Nikolai I. Photochemical & Photobiological Sciences, Vol. 13, Issue 2 https://doi.org/10.1039/c3pp50328c	journal	January 2014
TREPR spectra of micelle-confined spin correlated radical pairs: II. Spectral decomposition and asymmetric line shapes Tarasov, Valery F.; Jarocha, Lauren E.; Forbes, Malcolm D. E. Photochemical & Photobiological Sciences, Vol. 13, Issue 2 https://doi.org/10.1039/c3pp50329a	journal	January 2014
The role of chemically-induced dynamic electron polarization (CIDEP) in chemistry Hore, P. J.; Joslin, C. G.; McLauchlan, K. A. Chemical Society Reviews, Vol. 8, Issue 1 https://doi.org/10.1039/cs9790800029	journal	January 1979
Magnetic-field effects on geminate radical-pair recombination Weller, Albert; Staerk, Hubert; Treichel, Rainer Faraday Discussions of the Chemical Society, Vol. 78 https://doi.org/10.1039/dc9847800271	journal	January 1984
Light-induced triplet electron transfer in cyclohexene-bridged porphyrin–quinones detected by time-resolved electron paramagnetic resonance spectroscopy Schlüpmann, Jenny; Lendzian, Friedhelm; Plato, Martin J. Chem. Soc., Faraday Trans., Vol. 89, Issue 15 https://doi.org/10.1039/ft9938902853	journal	January 1993
Theory of Anomalous Electron Spin Resonance Spectra of Free Radicals in Solution. Role of Diffusion‐Controlled Separation and Reencounter of Radical Pairs Adrian, Frank J. The Journal of Chemical Physics, Vol. 54, Issue 9 https://doi.org/10.1063/1.1675447	journal	May 1971
Chemically induced dynamic electron polarization. II. A general theory for radicals produced by photochemical reactions of excited triplet carbonyl compounds Wong, S. K.; Hutchinson, D. A.; Wan, J. K. S. The Journal of Chemical Physics, Vol. 58, Issue 3 https://doi.org/10.1063/1.1679355	journal	February 1973
Theory of chemically induced dynamic electron polarization. I Pedersen, J. Boiden The Journal of Chemical Physics, Vol. 58, Issue 7 https://doi.org/10.1063/1.1679576	journal	January 1973
Theory of chemically induced dynamic electron polarization. II Pedersen, J. Boiden; Freed, Jack H. The Journal of Chemical Physics, Vol. 59, Issue 6 https://doi.org/10.1063/1.1680418	journal	September 1973
Theory of chemically induced dynamic electron polarization. III. Initial triplet polarizations Pedersen, J. Boiden; Freed, Jack H. The Journal of Chemical Physics, Vol. 62, Issue 5 https://doi.org/10.1063/1.430695	journal	March 1975
On the theory of chemically induced electron polarization (CIDEP): Vector model and an asymptotic solution Monchick, L.; Adrian, F. J. The Journal of Chemical Physics, Vol. 68, Issue 10 https://doi.org/10.1063/1.435507	journal	May 1978
Theory of chemically induced magnetic polarization. Effects of S – T _±1 mixing in strong magnetic fields Adrian, F. J.; Monchick, L. The Journal of Chemical Physics, Vol. 71, Issue 6 https://doi.org/10.1063/1.438616	journal	September 1979
Analytic formula for chemically induced magnetic polarization by S – T _±1 mixing in a strong magnetic field Adrian, F. J.; Monchick, L. The Journal of Chemical Physics, Vol. 72, Issue 10 https://doi.org/10.1063/1.439007	journal	May 1980
Temperature dependence of the CIDEP spectrum of acetone Tominaga, Keisuke; Yamauchi, Seigo; Hirota, Noboru The Journal of Chemical Physics, Vol. 88, Issue 2 https://doi.org/10.1063/1.454182	journal	January 1988
A static ensemble approximation for stochastically modulated quantum systems Bittl, R.; Schulten, K. The Journal of Chemical Physics, Vol. 90, Issue 3 https://doi.org/10.1063/1.456073	journal	February 1989
Nonadiabatic transitions in liquid phase reactions. Net electron polarization in radical pair recombination and triplet‐radical quenching Shushin, A. I. The Journal of Chemical Physics, Vol. 99, Issue 11 https://doi.org/10.1063/1.465596	journal	December 1993
Transient nutation electron spin resonance spectroscopy on spin-correlated radical pairs: A theoretical analysis on hyperfine-induced nuclear modulations Weber, Stefan; Kothe, Gerd; Norris, James R. The Journal of Chemical Physics, Vol. 106, Issue 15 https://doi.org/10.1063/1.473617	journal	April 1997
Electron–electron–nuclear three-spin mixing in spin-correlated radical pairs Jeschke, Gunnar The Journal of Chemical Physics, Vol. 106, Issue 24 https://doi.org/10.1063/1.474063	journal	June 1997
The triplet state in bacterial photosynthesis: Possible mechanisms of the primary photo-act Thurnauer, M. C.; Katz, J. J.; Norris, J. R. Proceedings of the National Academy of Sciences, Vol. 72, Issue 9 https://doi.org/10.1073/pnas.72.9.3270	journal	September 1975
Light induced radical pair intermediates in photosynthetic reaction centres in contact with an observer spin label: spin dynamics and effects on transient EPR spectra Salikhov, Kev M.; Zech, Stephan G.; Stehlik, Dietmar Molecular Physics, Vol. 100, Issue 9 https://doi.org/10.1080/00268970110112336	journal	May 2002
Biradical CIDNP and the dynamics of polymethylene chains de Kanter, F. J. J.; den Hollander, J. A.; Huizer, A. H. Molecular Physics, Vol. 34, Issue 3 https://doi.org/10.1080/00268977700102161	journal	September 1977
Radical pair kinetics in a magnetic field Till, U.; Hore, P. J. Molecular Physics, Vol. 90, Issue 2 https://doi.org/10.1080/002689797172778	journal	February 1997
Exchange effects and cidep Jenks, William S.; Turro, Nicholas J. Research on Chemical Intermediates, Vol. 13, Issue 3 https://doi.org/10.1163/156856790X00111	journal	September 1990

Similar Records

Spin polarization transfer by the radical pair mechanism

Journal Article · Fri Aug 07 00:00:00 EDT 2015 · Journal of Chemical Physics · OSTI ID:22493479

On the mechanism of multiplet CIDEP in radical ion pairs.

Journal Article · Tue Dec 31 23:00:00 EST 1996 · Chem. Phys. Lett. · OSTI ID:937911

Novel mechanism for triplet state formation in short distance covalently linked radical ion pairs.

Journal Article · Wed Oct 11 00:00:00 EDT 2000 · J. Am. Chem. Soc. · OSTI ID:942854

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
bio-inspired
catalysis (homogeneous)
charge transport
materials and chemistry by design
mesostructured materials
solar (photovoltaic)
synthesis (novel materials)
synthesis (self-assembly)

Spin polarization transfer by the radical pair mechanism

Citation Formats

References (63)

Similar Records

Related Subjects