Polaronic quantum master equation theory of inelastic and coherent resonance energy transfer for soft systems

Yang, Lei; Devi, Murali; Jang, Seogjoo

doi:10.1063/1.4732309

Title: Polaronic quantum master equation theory of inelastic and coherent resonance energy transfer for soft systems

Journal Article · Mon Jul 09 00:00:00 EDT 2012 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4732309· OSTI ID:1751916

Yang, Lei ^[1]; Devi, Murali ^[1]; Jang, Seogjoo ^[1]

City Univ. of New York (CUNY), NY (United States)

This work extends the theory of coherent resonance energy transfer by including quantum mechanical inelastic effects due to modulation of donor acceptor electronic coupling. Within the approach of the second order time local quantum master equation (QME) in the polaron picture and under the assumption that the bath degrees of freedom modulating the electronic coupling are independent of other modes, a general time evolution equation for the reduced system density operator is derived. Detailed expressions for the relaxation operators and inhomogeneous terms of the QME are then derived for three specific models of modulation in distance, axial angle, and dihedral angle, which are all approximated by harmonic oscillators. Numerical tests are conducted for a set of model parameters. Model calculation shows that the torsional modulation can make significant contribution to the relaxation and dephasing mechanisms.

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Research Organization:: City Univ. of New York (CUNY), NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division

Grant/Contract Number:: SC0001393; CHE-0846899

OSTI ID:: 1751916

Report Number(s):: DOE-Queens-1393-6; TRN: US2205519

Journal Information:: Journal of Chemical Physics, Vol. 137, Issue 2; Related Information: Lei Yang, Murali Devi, and Seogjoo Jang, “Polaronic quantum master equation theory of inelastic and coherent resonance energy transfer for soft systems,” Journal of Chemical Physics 137, 024101 (2012); ISSN 0021-9606

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

Country of Publication:: United States

Language:: English

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Cited by: 11 works

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References (43)

Multichromophoric Förster Resonance Energy Transfer Jang, Seogjoo; Newton, Marshall D.; Silbey, Robert J. Physical Review Letters, Vol. 92, Issue 21 https://doi.org/10.1103/PhysRevLett.92.218301	journal	May 2004
Inter-porphyrin coupling: rotation-modulation of inter-ring coupling in a μ-oxo-silicon phthalocyanine dimer Binstead, Robert A.; Reimers, Jeffrey R.; Hush, Noel S. Chemical Physics Letters, Vol. 378, Issue 5-6 https://doi.org/10.1016/j.cplett.2003.08.003	journal	September 2003
Förster Resonant Energy Transfer in Orthogonally Arranged Chromophores Langhals, Heinz; Esterbauer, Andreas J.; Walter, Andreas Journal of the American Chemical Society, Vol. 132, Issue 47 https://doi.org/10.1021/ja101544x	journal	December 2010
Theoretical Investigation of the Mechanism and Dynamics of Intramolecular Coherent Resonance Energy Transfer in Soft Molecules: A Case Study of Dithia-anthracenophane Yang, Lei; Caprasecca, Stefano; Mennucci, Benedetta Journal of the American Chemical Society, Vol. 132, Issue 47 https://doi.org/10.1021/ja103303u	journal	December 2010
Nonequilibrium generalization of Förster–Dexter theory for excitation energy transfer Jang, Seogjoo; Jung, YounJoon; Silbey, Robert J. Chemical Physics, Vol. 275, Issue 1-3 https://doi.org/10.1016/S0301-0104(01)00538-9	journal	January 2002
Wavelength and Temperature Dependence of the Femtosecond Pump−Probe Anisotropies in the Conjugated Polymer MEH-PPV: Implications for Energy-Transfer Dynamics Gaab, Kevin M.; Bardeen, Christopher J. The Journal of Physical Chemistry B, Vol. 108, Issue 15 https://doi.org/10.1021/jp036120l	journal	April 2004
A unified theory for charge-carrier transport in organic crystals Cheng, Yuan-Chung; Silbey, Robert J. The Journal of Chemical Physics, Vol. 128, Issue 11 https://doi.org/10.1063/1.2894840	journal	March 2008
Studies of Impulsive Vibrational Influence on Ultrafast Electronic Excitation Transfer Biggs, Jason D.; Cina, Jeffrey A. The Journal of Physical Chemistry A, Vol. 116, Issue 7 https://doi.org/10.1021/jp2094609	journal	February 2012
The architecture and function of the light-harvesting apparatus of purple bacteria: from single molecules to in vivo membranes Cogdell, Richard J.; Gall, Andrew; Köhler, Jürgen Quarterly Reviews of Biophysics, Vol. 39, Issue 3 https://doi.org/10.1017/S0033583506004434	journal	August 2006
Electronic excitation dynamics in multichromophoric systems described via a polaron-representation master equation Kolli, Avinash; Nazir, Ahsan; Olaya-Castro, Alexandra The Journal of Chemical Physics, Vol. 135, Issue 15 https://doi.org/10.1063/1.3652227	journal	October 2011
Studies of polaron motion Holstein, T. Annals of Physics, Vol. 8, Issue 3 https://doi.org/10.1016/0003-4916(59)90002-8	journal	November 1959
Theory on Rates of Excitation-Energy Transfer between Molecular Aggregates through Distributed Transition Dipoles with Application to the Antenna System in Bacterial Photosynthesis Sumi, Hitoshi The Journal of Physical Chemistry B, Vol. 103, Issue 1 https://doi.org/10.1021/jp983477u	journal	January 1999
Variational calculation of the tunneling system interacting with a heat bath. II. Dynamics of an asymmetric tunneling system Harris, R. A.; Silbey, R. The Journal of Chemical Physics, Vol. 83, Issue 3 https://doi.org/10.1063/1.449469	journal	August 1985
Dihedral-Angle Modulation of mesomeso-Linked ZnII Diporphyrin through Diamine Coordination and Its Application to Reversible Switching of Excitation Energy Transfer Shinmori, Hideyuki; Ahn, Tae Kyu; Cho, Hyun Sun Angewandte Chemie International Edition, Vol. 42, Issue 24 https://doi.org/10.1002/anie.200351177	journal	June 2003
Efficient Light Harvesting in Dye-Endcapped Conjugated Polymers Probed by Single Molecule Spectroscopy Becker, Klaus; Lupton, John M. Journal of the American Chemical Society, Vol. 128, Issue 19 https://doi.org/10.1021/ja0609405	journal	May 2006
The role of long-lived dark states in the photoluminescence dynamics of phenylene vinylene conjugated polymers Lim, Sang-Hyun; Bjorklund, Thomas G.; Gaab, Kevin M. The Journal of Chemical Physics, Vol. 117, Issue 1 https://doi.org/10.1063/1.1481760	journal	July 2002
Consistent treatment of coherent and incoherent energy transfer dynamics using a variational master equation McCutcheon, Dara P. S.; Nazir, Ahsan The Journal of Chemical Physics, Vol. 135, Issue 11 https://doi.org/10.1063/1.3636081	journal	September 2011
Excitons in Conjugated Oligomer Aggregates, Films, and Crystals Spano, Frank C. Annual Review of Physical Chemistry, Vol. 57, Issue 1 https://doi.org/10.1146/annurev.physchem.57.032905.104557	journal	May 2006
Nobel Lecture: Semiconducting and metallic polymers: The fourth generation of polymeric materials Heeger, Alan J. Reviews of Modern Physics, Vol. 73, Issue 3 https://doi.org/10.1103/RevModPhys.73.681	journal	September 2001
Theory of multichromophoric coherent resonance energy transfer: A polaronic quantum master equation approach Jang, Seogjoo The Journal of Chemical Physics, Vol. 135, Issue 3 https://doi.org/10.1063/1.3608914	journal	July 2011
Excitation Migration along Oligophenylenevinylene-Based Chiral Stacks: Delocalization Effects on Transport Dynamics Beljonne, D.; Hennebicq, E.; Daniel, C. The Journal of Physical Chemistry B, Vol. 109, Issue 21 https://doi.org/10.1021/jp050792p	journal	June 2005
Coherent Intrachain Energy Migration in a Conjugated Polymer at Room Temperature Collini, E.; Scholes, G. D. Science, Vol. 323, Issue 5912 https://doi.org/10.1126/science.1164016	journal	January 2009
Time-Dependent Atomistic View on the Electronic Relaxation in Light-Harvesting System II Olbrich, Carsten; Kleinekathöfer, Ulrich The Journal of Physical Chemistry B, Vol. 114, Issue 38 https://doi.org/10.1021/jp106542v	journal	September 2010
Energy transfer from Förster–Dexter theory to quantum coherent light-harvesting Olaya-Castro, Alexandra; Scholes, Gregory D. International Reviews in Physical Chemistry, Vol. 30, Issue 1 https://doi.org/10.1080/0144235X.2010.537060	journal	January 2011
Hydrogen tunneling in condensed media Suárez, Alberto; Silbey, Robert The Journal of Chemical Physics, Vol. 94, Issue 7 https://doi.org/10.1063/1.460565	journal	April 1991
Photosynthetic Light-Harvesting: Reconciling Dynamics and Structure of Purple Bacterial LH2 Reveals Function of Photosynthetic Unit Sundström, Villy; Pullerits, Tõnu; van Grondelle, Rienk The Journal of Physical Chemistry B, Vol. 103, Issue 13 https://doi.org/10.1021/jp983722+	journal	March 1999
Fourth-order quantum master equation and its Markovian bath limit Jang, Seogjoo; Cao, Jianshu; Silbey, Robert J. The Journal of Chemical Physics, Vol. 116, Issue 7 https://doi.org/10.1063/1.1445105	journal	February 2002
Shared-mode assisted resonant energy transfer in the weak coupling regime Hennebicq, E.; Beljonne, D.; Curutchet, C. The Journal of Chemical Physics, Vol. 130, Issue 21 https://doi.org/10.1063/1.3140273	journal	June 2009
On the calculation of transfer rates between impurity states in solids Jackson, Bret; Silbey, Robert The Journal of Chemical Physics, Vol. 78, Issue 6 https://doi.org/10.1063/1.445096	journal	March 1983
Variational calculation of the dynamics of a two level system interacting with a bath Silbey, Robert; Harris, Robert A. The Journal of Chemical Physics, Vol. 80, Issue 6 https://doi.org/10.1063/1.447055	journal	March 1984
Efficient Intramolecular Energy Transfer in Single Endcapped Conjugated Polymer Molecules in the Absence of Appreciable Spectral Overlap Becker, Klaus; Lupton, John M.; Feldmann, Jochen Journal of the American Chemical Society, Vol. 128, Issue 3 https://doi.org/10.1021/ja056469h	journal	January 2006
Modulation of excitation energy transfer by conformational oscillations in biomolecular systems Tanaka, Shigenori Chemical Physics Letters, Vol. 508, Issue 1-3 https://doi.org/10.1016/j.cplett.2011.04.037	journal	May 2011
Photosynthetic apparatus of purple bacteria Hu, Xiche; Ritz, Thorsten; Damjanović, Ana Quarterly Reviews of Biophysics, Vol. 35, Issue 1 https://doi.org/10.1017/S0033583501003754	journal	February 2002
Generalization of the Förster resonance energy transfer theory for quantum mechanical modulation of the donor-acceptor coupling Jang, Seogjoo The Journal of Chemical Physics, Vol. 127, Issue 17 https://doi.org/10.1063/1.2779031	journal	November 2007
Beyond Förster Resonance Energy Transfer in Biological and Nanoscale Systems Beljonne, David; Curutchet, Carles; Scholes, Gregory D. The Journal of Physical Chemistry B, Vol. 113, Issue 19 https://doi.org/10.1021/jp900708f	journal	May 2009
Theory of coherent resonance energy transfer for coherent initial condition Jang, Seogjoo The Journal of Chemical Physics, Vol. 131, Issue 16 https://doi.org/10.1063/1.3247899	journal	October 2009
Zwischenmolekulare Energiewanderung und Fluoreszenz Förster, Th. Annalen der Physik, Vol. 437, Issue 1-2, p. 55-75 https://doi.org/10.1002/andp.19484370105	journal	January 1948
Studies of polaron motion Holstein, T. Annals of Physics, Vol. 8, Issue 3 https://doi.org/10.1016/0003-4916(59)90003-X	journal	November 1959
Exciton Migration in Rigid-Rod Conjugated Polymers: An Improved Förster Model Hennebicq, Emmanuelle; Pourtois, Geoffrey; Scholes, Gregory D. Journal of the American Chemical Society, Vol. 127, Issue 13 https://doi.org/10.1021/ja0488784	journal	April 2005
From Atomistic Modeling to Excitation Transfer and Two-Dimensional Spectra of the FMO Light-Harvesting Complex Olbrich, Carsten; Jansen, Thomas L. C.; Liebers, Jörg The Journal of Physical Chemistry B, Vol. 115, Issue 26 https://doi.org/10.1021/jp202619a	journal	July 2011
Intramolecular electronic excitation energy transfer in donor∕acceptor dyads studied by time and frequency resolved single molecule spectroscopy Hinze, G.; Métivier, R.; Nolde, F. The Journal of Chemical Physics, Vol. 128, Issue 12 https://doi.org/10.1063/1.2841474	journal	March 2008
Charge and Energy Transfer Dynamics in Molecular Systems May, Volkhard; Kühn, Oliver Wiley-VCH Verlag GmbH & Co. KGaA https://doi.org/10.1002/9783527633791	book	February 2011
Theory of coherent resonance energy transfer Jang, Seogjoo; Cheng, Yuan-Chung; Reichman, David R. The Journal of Chemical Physics, Vol. 129, Issue 10 https://doi.org/10.1063/1.2977974	journal	September 2008

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Title: Polaronic quantum master equation theory of inelastic and coherent resonance energy transfer for soft systems

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