Related Experiment Video
Updated: Mar 3, 2026
Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex
Published on: July 27, 2022
Structure-Dynamics Relation in Physically-Plausible Multi-Chromophore Systems
George C Knee, Patrick Rowe1, Luke D Smith
1London Centre for Nanotechnology, Thomas Young Centre, and Department of Physics and Astronomy, University College London , 17-19 Gordon Street, London WC1H 0AH, United Kingdom.
Abstract:
We study a large number of physically-plausible arrangements of chromophores, generated via a computational method involving stochastic real-space transformations of a naturally-occurring "reference" structure, illustrating our methodology using the well-studied Fenna-Matthews-Olson complex (FMO). To explore the idea that the natural structure has been tuned for efficient energy transport, we use an atomic transition charge method to calculate the excitonic couplings of each generated structure and a Lindblad master equation to study the quantum transport of an exciton from a "source" to a "drain" chromophore. We find significant correlations between structure and transport efficiency: High-performing structures tend to be more compact and, among those, the best structures display a certain orientation of the chromophores, particularly the chromophore closest to the source-to-drain vector. We conclude that, subject to reasonable, physically motivated constraints, the FMO complex is highly attuned to the purpose of energy transport, partly by exploiting these structural motifs.
More Related Videos
08:54Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
Published on: January 25, 2020
12:51Simultaneous Multicolor Imaging of Biological Structures with Fluorescence Photoactivation Localization Microscopy
Published on: December 9, 2013
Related Concept Videos
02:20Dynamic Equilibrium
03:02Colors and Magnetism
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
02:16Resonance and Hybrid Structures
Resonance Structures and Resonance Hybrids
The Lewis structure of a nitrite anion (NO2−) may actually be drawn in two different ways, distinguished by the locations of the N–O and N=O bonds.
02:58Crystal Field Theory - Octahedral Complexes
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
02:46Crystal Field Theory - Tetrahedral and Square Planar Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
02:00Molecular Models