Related Experiment Video
Updated: Feb 3, 2026

Harvesting Solar Energy by Means of Charge-Separating Nanocrystals and Their Solids
Published on: August 23, 2012
Explicit Method To Evaluate the External Reorganization Energy of Charge-Transfer Reactions in Oligoacene Crystals
Tao Xu1, Wenliang Wang1, Shiwei Yin1
1Key Laboratory for Macromolecular Science of Shaanxi Province, School of Chemistry and Chemical Engineering , Shaanxi Normal University , Xi'an City 710119 , People's Republic of China.
Abstract:
The state-specific polarizable force field (SS-PFF) are parametrized for neutral and cationic oligoacenes based on QM calculations. The SS-PFF is applied to explicitly evaluate the electron-phonon interaction for localized hole-carrier charge transfer (CT) reactions in oligoacene crystals. A two-point model is proposed to estimate the total reorganization energy including internal and external contributions for hole-carrier CT reactions in oligoacene crystals. Orientation and separation dependent external reorganization energy are well described according to the potential energy surface of SS-PFF. Moreover, increasing the temperature leads to a small increase of the external reorganization energy of CT reactions.
More Related Videos
09:22Synthesis and Performance Evaluations of ZnCoS/ZnCdS with Twin Crystal Structure for Multifunctional Redox Photocatalysis in Energy Applications
Published on: July 25, 2025
09:49A Protocol for Electrochemical Evaluations and State of Charge Diagnostics of a Symmetric Organic Redox Flow Battery
Published on: February 13, 2017
Related Concept Videos
Crystal 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...
Crystal 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,...
Energy Transfer in Chemical Reactions
Work Done on a System by External Force
In the presence of a non-conservative opposing force, like friction, some part of the work done...
Trends in Lattice Energy: Ion Size and Charge
Internal and External Forces