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Related Concept Videos

Electron Affinity03:07

Electron Affinity

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The electron affinity (EA) is the energy change for adding an electron to a gaseous atom to form an anion (negative ion).
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Affinity and Avidity01:41

Affinity and Avidity

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States of Water01:23

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Water exists in any one of the three classical states: solid (ice), liquid (water), and gas (steam or water vapor). The state of water depends on i) the intermolecular forces that draw molecules together and ii) the kinetic energy that leads to movements that pull them apart.
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Ions are atoms or molecules bearing an electrical charge. A cation (a positive ion) forms when a neutral atom loses one or more electrons from its valence shell, and an anion (a negative ion) forms when a neutral atom gains one or more electrons in its valence shell. Compounds composed of ions are called ionic compounds (or salts), and their constituent ions are held together by ionic bonds: electrostatic forces of attraction between oppositely charged cations and anions. 
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Electron Carriers01:24

Electron Carriers

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Electron carriers can be thought of as electron shuttles. These compounds can easily accept electrons (i.e., be reduced) or lose them (i.e., be oxidized). They play an essential role in energy production because cellular respiration is contingent on the flow of electrons.
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Electron Transport Chains01:28

Electron Transport Chains

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The final stage of cellular respiration is oxidative phosphorylation that consists of two steps: the electron transport chain and chemiosmosis. The electron transport chain is a set of proteins found in the inner mitochondrial membrane in eukaryotic cells. Its primary function is to establish a proton gradient that can be used during chemiosmosis to produce ATP and generate electron carriers, such as NAD+ and FAD, that are used in glycolysis and the citric acid cycle.
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In Situ Characterization of Boehmite Particles in Water Using Liquid SEM
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Electron affinity of liquid water.

Alex P Gaiduk1, Tuan Anh Pham2, Marco Govoni1,3

  • 1Institute for Molecular Engineering, The University of Chicago, Chicago, IL, 60637, USA.

Nature Communications
|January 18, 2018
PubMed
Summary

We calculated the electron affinity of liquid water, crucial for understanding aqueous reactions. The surface electron affinity (0.8 eV) matches experimental data, while the bulk value (0.1-0.3 eV) differs from prior estimates.

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Area of Science:

  • Physical Chemistry
  • Computational Chemistry
  • Materials Science

Background:

  • Accurate understanding of redox and photochemical reactions in aqueous systems necessitates precise knowledge of water's ionization potential and electron affinity.
  • While the ionization potential of water is known, its electron affinity remains experimentally undetermined, presenting a significant knowledge gap.

Purpose of the Study:

  • To computationally predict the electron affinity of bulk liquid water and its surface.
  • To provide accurate theoretical values for water's electron affinity to aid in understanding aqueous environmental chemistry.

Main Methods:

  • Coupling path-integral molecular dynamics with ab initio potentials.
  • Employing many-body perturbation theory for accurate electronic structure calculations.
  • First-principles prediction of electron affinity for liquid water and its surface.

Main Results:

  • The predicted electron affinity for the water surface is 0.8 eV, aligning well with recent experimental findings on amorphous ice.
  • The electron affinity for bulk liquid water is calculated to be between 0.1-0.3 eV, differing from several existing literature estimates.
  • Ionization potentials for bulk and surface water are nearly identical, but electron affinities show substantial differences, with the surface conduction band edge being significantly deeper.

Conclusions:

  • The study provides crucial, first-principles-derived electron affinity values for liquid water and its surface.
  • The findings highlight the distinct electronic properties of water's bulk and surface, impacting their roles in chemical reactions.
  • Nuclear quantum effects significantly influence the fundamental gap and band edges of liquid water.