期刊
ANNUAL REVIEW OF PHYSICAL CHEMISTRY
卷 73, 期 -, 页码 349-375出版社
ANNUAL REVIEWS
DOI: 10.1146/annurev-physchem-090419-120202
关键词
excitation energy transfer; path integral; exciton-vibration; system-bath; coherence; quantum dynamics
资金
- National Science Foundation (NSF) [CHE-1955302]
- NSF Center for Synthesizing Quantum Coherence [1925690]
- US Air Force Office of Scientific Research [FA9550-18-1-0291]
- NSF [OCI-0725070, ACI-1238993]
- State of Illinois
- Direct For Mathematical & Physical Scien
- Division Of Chemistry [1925690] Funding Source: National Science Foundation
Excitation energy transfer (EET) is crucial for many processes in chemical and biological systems, and is important for the design of materials for efficient solar energy harvest and transport. This review explores the role of intramolecular vibrations in the dynamics of EET in nonbonded molecular aggregates.
Excitation energy transfer (EET) is fundamental to many processes in chemical and biological systems and carries significant implications for the design of materials suitable for efficient solar energy harvest and transport. This review discusses the role of intramolecular vibrations on the dynamics of EET in nonbonded molecular aggregates of bacteriochlorophyll, a perylene bisimide, and a model system, based on insights obtained from fully quantum mechanical real-time path integral results for a Frenkel exciton Hamiltonian that includes all vibrational modes of each molecular unit at finite temperature. Generic trends, as well as features specific to the vibrational characteristics of the molecules, are identified. Weak exciton-vibration (EV) interaction leads to compact, near-Gaussian densities on each electronic state, whose peak follows primarily a classical trajectory on a torus, while noncompact densities and nonlinear peak evolution are observed with strong EV coupling. Interaction with many intramolecular modes and increasing aggregate size smear, shift, and damp these dynamical features.
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