4.7 Article

A Comprehensive Approach to Exciton Delocalization and Energy Transfer

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

The fate of molecular excited states: modeling donor-acceptor dyes

D. Giavazzi et al.

Summary: In this study, we investigate the relaxation process of a coherently excited molecule using the Redfield approximation. The proposed molecular model successfully describes the fast vibrational relaxation and the slower relaxation towards the ground state. It is important to separately couple each vibration to an independent bath to avoid cross-talking between modes. The number of molecular vibrations introduced in the model does not affect the system dynamics, supporting the use of simplified models for donor-acceptor dyes with a single coupled vibration.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2022)

Article Multidisciplinary Sciences

Hidden vibronic and excitonic structure and vibronic coherence transfer in the bacterial reaction center

Veronica R. Policht et al.

Summary: This article reports two-dimensional electronic spectroscopy experiments on the bacterial reaction center, revealing hidden vibrational and excitonic structures. By analyzing the coherent dynamics of the reaction center, multiple quasi-resonances between pigment vibrations and excitonic energy gaps are identified, as well as vibronic coherence transfer processes that are often neglected in standard models. These findings provide insights into the energy transfer and charge separation processes in photosynthesis.

SCIENCE ADVANCES (2022)

Article Chemistry, Physical

Vibronic resonance along effective modes mediates selective energy transfer in excitonically coupled aggregates

Sanjoy Patra et al.

Summary: This study proposes effective normal modes for excitonically coupled aggregates and expands the idea of mediated energy transfer to larger aggregates. The results demonstrate the importance of vibronic resonance and weak mediated electronic coupling in enhancing energy transfer selectivity.

JOURNAL OF CHEMICAL PHYSICS (2022)

Article Chemistry, Physical

Quantum dynamical study of inter-chain exciton transport in a regioregular P3HT model system at finite temperature: HJ vs H-aggregate models

Manel Mondelo-Martell et al.

Summary: In this study, we report on quantum dynamical simulations of inter-chain exciton transport in a model of regioregular poly(3-hexylthiophene) (rr-P3HT) at finite temperature. Our simulations using the Multi-Layer Multi-Configuration Time-Dependent Hartree method reveal the significant role of quantum coherent transient localization mechanism in mediating inter-chain transport.

JOURNAL OF CHEMICAL PHYSICS (2022)

Article Chemistry, Multidisciplinary

Ultrafast Symmetry-Breaking Charge Separation in a Perylene Bisimide Dimer Enabled by Vibronic Coupling and Breakdown of Adiabaticity

Yongseok Hong et al.

Summary: This study presents the mechanism of ultrafast photoinduced symmetry-breaking charge separation (SB-CS) in a 1,7-bis(N-pyrrolidinyl) PBI dimer within a cyclophane. The authors demonstrate that ultrafast SB-CS in the dimer is enabled by the combination of vibrationally coherent charge-transfer resonance-enhanced excimer formation and breakdown of adiabaticity in the excimer state via structural and solvent fluctuation. Quantum chemical calculations support the crucial role of strong electron donating substituents in triggering the ultrafast SB-CS.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2022)

Review Chemistry, Multidisciplinary

Theoretical study of excitation energy transfer and nonlinear spectroscopy of photosynthetic light-harvesting complexes using the nonperturbative reduced dynamics method

Yaming Yan et al.

Summary: This article reviews theoretical studies of photosynthetic light-harvesting complexes using the nonperturbative hierarchical equations of motion (HEOM) approach to simulate EET dynamics and spectroscopic signals. The results demonstrate the effectiveness of the HEOM method in understanding EET pathways and quantum effects in these complexes through simulations.

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2021)

Article Chemistry, Multidisciplinary

Interplay of vibrational wavepackets during an ultrafast electron transfer reaction

Shahnawaz Rafiq et al.

Summary: Research has shown that controlling molecular vibrations can accelerate certain electron transfer reactions and determine the process in which vibrations participate in the reaction. Experiments have observed ballistic electron transfer along a reaction coordinate with high-frequency promoting vibrations, as well as the system becoming impulsively out of equilibrium due to the electron transfer reaction.

NATURE CHEMISTRY (2021)

Article Chemistry, Physical

The effect of hydrogen bonds on the ultrafast relaxation dynamics of a BODIPY dimer

Elisa Fresch et al.

Summary: The influence of hydrogen bonds on the structure, dynamics, and functionality of biological and artificial systems is under intense investigation. Particularly, the ultrafast H-bond dependent dynamical properties in electronic excited state have potential consequences on photochemical reactions and photophysical processes important for life and technology. The use of 2D electronic spectroscopy to study H-bond dynamics has revealed a new ultrafast relaxation channel, mediated by hydrogen motion, which plays a significant role in driving ultrafast dynamics in complex materials.

JOURNAL OF CHEMICAL PHYSICS (2021)

Article Physics, Multidisciplinary

Unraveling excitation energy transfer assisted by collective behaviors of vibrations

Zeng-Zhao Li et al.

Summary: The study investigates how collective behaviors of vibrations, such as cooperativity and interference, enhance energy transfer, focusing on multi-phonon vibrationally-assisted energy transfer processes. The impacts of vibrations and different VAET processes vary in weak and strong site-vibration coupling regimes. Additionally, VAET features are enhanced with increasing temperature and site-vibration coupling strength.

NEW JOURNAL OF PHYSICS (2021)

Article Chemistry, Physical

Vibronic coupling in energy transfer dynamics and two-dimensional electronic-vibrational spectra

Eric A. Arsenault et al.

Summary: The study introduced a heterodimer model to investigate various mechanisms of vibronic coupling and their impact on energy transfer. Experimental findings showed that Franck-Condon activity alters excitonic structure, while Herzberg-Teller activity results in significant side-band transitions. Comparing quantum beating patterns from simulated 2DEV spectra can provide insight into the mechanism of energy transfer and determine the role of specific vibronic coupling mechanisms in such processes.

JOURNAL OF CHEMICAL PHYSICS (2021)

Article Chemistry, Physical

Aggregates of polar dyes: beyond the exciton model†

Mattia Anzola et al.

Summary: The physics of aggregates of polar and polarizable donor-acceptor dyes is discussed, with a model proposed to calculate exact absorption and fluorescence spectra for aggregates with up to 6 molecules. The two-step procedure involves a mean-field solution to define the excitonic basis and a diagonalization of the aggregate Hamiltonian for exact results, showing reliable description of aggregates in weak coupling and importance of ultraexcitonic effects in medium-strong coupling regimes.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021)

Article Chemistry, Physical

Unusual Non-Kasha Photophysical Behavior of Aggregates of Push-Pull Donor-Acceptor Chromophores

Chuwei Zhong et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2020)

Article Chemistry, Physical

The role of resonant nuclear modes in vibrationally assisted energy transport: The LHCII complex

Pallavi Bhattacharyya et al.

JOURNAL OF CHEMICAL PHYSICS (2020)

Article Chemistry, Physical

Understanding Forster Energy Transfer through the Lens of Molecular Dynamics

Mattia Anzola et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2020)

Article Chemistry, Physical

Dynamical disorder and resonance energy transfer: a novel quantum-classical approach

F. Di Maiolo et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)

Article Chemistry, Physical

Non-Kasha Behavior in Quadrupolar Dye Aggregates: The Red-Shifted H-Aggregate

Chenyu Zheng et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2019)

Article Chemistry, Physical

Analysis of transient-absorption pump-probe signals of nonadiabatic dissipative systems: Ideal and real spectra

Elisa Palacino-Gonzalez et al.

JOURNAL OF CHEMICAL PHYSICS (2019)

Article Chemistry, Physical

Optical spectra of molecular aggregates and crystals: testing approximation schemes

M. Anzola et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2019)

Article Chemistry, Physical

Intermolecular Energy Transfer in Real Time

Francesco Di Maiolo et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2018)

Article Chemistry, Physical

Electronic energy transfer through non-adiabatic vibrational-electronic resonance. I. Theory for a dimer

Vivek Tiwari et al.

JOURNAL OF CHEMICAL PHYSICS (2017)

Article Chemistry, Physical

Superlinear amplification of the first hyperpolarizability of linear aggregates of DANS molecules

Somananda Sanyal et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)

Article Chemistry, Physical

The Role of Resonant Vibrations in Electronic Energy Transfer

Pavel Maly et al.

CHEMPHYSCHEM (2016)

Review Physics, Multidisciplinary

Exciton-vibrational coupling in the dynamics and spectroscopy of Frenkel excitons in molecular aggregates

M. Schroeter et al.

PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS (2015)

Article Chemistry, Physical

Vibrationalel coherences in charge-transfer dyes: A non-adiabatic picture

Cristina Sissa et al.

JOURNAL OF CHEMICAL PHYSICS (2014)

Article Chemistry, Physical

Energy transfer from Förster–Dexter theory to quantum coherent light-harvesting

Alexandra Olaya-Castro et al.

INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY (2011)

Article Chemistry, Physical

Beyond the Forster formulation for resonance energy transfer: the role of dark states

C. Sissa et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)

Review Chemistry, Multidisciplinary

The Spectral Signatures of Frenkel Polarons in H- and J-Aggregates

Frank C. Spano

ACCOUNTS OF CHEMICAL RESEARCH (2010)

Article Chemistry, Physical

Electronic energy transfer on a vibronically coupled quantum aggregate

Jan Roden et al.

JOURNAL OF CHEMICAL PHYSICS (2009)

Article Chemistry, Physical

Optical line shapes of molecular aggregates: Hierarchical equations of motion method

Liping Chen et al.

JOURNAL OF CHEMICAL PHYSICS (2009)

Article Chemistry, Physical

How solvent controls electronic energy transfer and light harvesting

Gregory D. Scholes et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2007)

Article Chemistry, Physical

Modeling the optical properties of excitons in linear and tubular J-aggregates

Jasper Knoester

INTERNATIONAL JOURNAL OF PHOTOENERGY (2006)

Article Chemistry, Physical

Quantum dynamical simulations of ultrafast photoinduced electron-transfer processes

D Egorova et al.

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY (2004)

Article Chemistry, Physical

Time-resolved spectra of polar-polarizable chromophores in solution

F Terenziani et al.

CHEMICAL PHYSICS (2003)

Article Materials Science, Multidisciplinary

Supramolecular interactions in clusters of polar and polarizable molecules

F Terenziani et al.

PHYSICAL REVIEW B (2003)

Article Chemistry, Physical

Modeling of ultrafast electron-transfer processes: Validity of multilevel Redfield theory

D Egorova et al.

JOURNAL OF CHEMICAL PHYSICS (2003)

Article Chemistry, Physical

Polar dyes in solution: A joint experimental and theoretical study of absorption and emission band shapes

B Boldrini et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2002)

Article Chemistry, Physical

Solvation effects and inhomogeneous broadening in optical spectra of phenol blue

F Terenziani et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2000)