Related Experiment Video
Updated: Feb 8, 2026

Obtaining 3D Chemical Maps by Energy Filtered Transmission Electron Microscopy Tomography
Published on: June 9, 2018
Understanding Processes Following Resonant Electron Attachment: Minimum-Energy Crossing Points between Anionic and
Zsuzsanna Benda1, Thomas-C Jagau1
1Department of Chemistry , University of Munich (LMU) , D-81377 Munich , Germany.
Abstract:
The equation-of-motion coupled-cluster singles and doubles (EOM-CCSD) method with and without a complex absorbing potential (CAP) is applied for the study of the complex potential energy surfaces (CPES) of temporary anions and their parent neutral molecules. Crossings between the anionic state and the neutral state can be connected to the emission of nearly zero-energy electrons, which is demonstrated by the examples of acrylonitrile and methacrylonitrile. We show that the location of the minimum-energy crossing point (MECP) relative to the equilibrium structures of the neutral molecule and the anion can explain experimentally observed peaks on the threshold line of two-dimensional electron-energy loss spectra. The location and energy of the MECP is also crucial in dissociative electron attachment as we illustrate for chloro-substituted ethylenes. It is demonstrated that both the metastable region of the anionic CPES and the crossing with the neutral PES need to be considered to explain trends in the chloride ion formation cross sections of dichloroethylenes.
More Related Videos
Related Concept Videos
Potential Energy
Chemical bonds that form attractive forces between atoms also contain potential energy, called chemical energy. When a chemical reaction...
Potential Energy
Cell Potential and Free Energy
Thermodynamics is the branch of physics dealing with the relationship between heat and other forms of energy. In an electrochemical cell, chemical energy is converted into electrical energy.
Thus, a link can be predicted between cell potential, free energy change, and the equilibrium constant for the reaction. Cell potential can also be measured as the oxidant or the reducing strength, and similar acid-base strength measures are reflected in equilibrium...
Ionization Energy
Energy Basics
What is Energy?

