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Related Concept Videos

Electron Configurations02:46

Electron Configurations

Electron configurations and orbital diagrams can be determined by applying the Aufbau principle (each added electron occupies the subshell of lowest energy available), Pauli exclusion principle (no two electrons can have the same set of four quantum numbers), and Hund’s rule of maximum multiplicity (whenever possible, electrons retain unpaired spins in degenerate orbitals).
The relative energies of the subshells determine the order in which atomic orbitals are filled (1s, 2s, 2p, 3s, 3p, 4s,...
The Aufbau Principle and Hund's Rule03:02

The Aufbau Principle and Hund's Rule

To determine the electron configuration for any particular atom, we can build the structures in the order of atomic numbers. Beginning with hydrogen, and continuing across the periods of the periodic table, we add one proton at a time to the nucleus and one electron to the proper subshell until we have described the electron configurations of all the elements. This procedure is called the aufbau principle, from the German word aufbau (“to build up”). Each added electron occupies the subshell of...
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The Pauli Exclusion Principle

The arrangement of electrons in the orbitals of an atom is called its electron configuration. We describe an electron configuration with a symbol that contains three pieces of information:
Electron Orbital Model01:18

Electron Orbital Model

Orbitals are the areas outside of the atomic nucleus where electrons are most likely to reside. They are characterized by different energy levels, shapes, and three-dimensional orientations. The location of electrons is described most generally by a shell or principal energy level, then by a subshell within each shell, and finally, by individual orbitals found within the subshells.
The first shell is closest to the nucleus, and it has only one subshell with a single spherical orbital called the...
Atomic Orbitals02:44

Atomic Orbitals

An atomic orbital represents the three-dimensional regions in an atom where an electron has the highest probability to reside. The radial distribution function indicates the total probability of finding an electron within the thin shell at a distance r from the nucleus. The atomic orbitals have distinct shapes which are determined by l, the angular momentum quantum number. The orbitals are often drawn with a boundary surface, enclosing densest regions of the cloud.
VSEPR Theory02:37

VSEPR Theory

Valence shell electron-pair repulsion theory (VSEPR theory) enables us to predict the molecular structure around a central atom from an examination of the number of bonds and lone electron pairs in its Lewis structure. The VSEPR model assumes that electron pairs in the valence shell of a central atom will adopt an arrangement that minimizes repulsions between these electron pairs by maximizing the distance between them. The electrons in the valence shell of a central atom form either bonding...

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Photoelectron Imaging of Anions Illustrated by 310 Nm Detachment of F&#8722;
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Published on: July 27, 2018

π-Electron conjugation in two dimensions.

Rico Gutzler1, Dmitrii F Perepichka

  • 1Max Planck Institute for Solid State Research , Heisenbergstrasse 1, 70569 Stuttgart, Germany.

Journal of the American Chemical Society
|September 20, 2013
PubMed
Summary
This summary is machine-generated.

Synthesizing two-dimensional (2D) polymers extends π-conjugation, creating novel organic electronic materials with smaller band gaps than their one-dimensional (1D) counterparts. This research explores 2D polymer band gap engineering for advanced organic electronics.

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Area of Science:

  • Materials Science
  • Organic Chemistry
  • Condensed Matter Physics

Background:

  • Organic electronic devices rely on π-conjugated oligomers and polymers.
  • Recent advances enable the synthesis of planar two-dimensional (2D) polymers.
  • Tailor-made organic materials are crucial for next-generation electronics.

Purpose of the Study:

  • To investigate the electronic properties of 2D polymers compared to 1D polymers.
  • To understand how extending π-conjugation in the second dimension affects material properties.
  • To explore novel band gap engineering strategies in organic materials.

Main Methods:

  • Density functional theory (DFT) calculations.
  • Computational modeling of experimentally synthesized 2D polymers.
  • Analysis of structure-property relationships, including conjugation length, cross-conjugation, and dihedral twists.

Main Results:

  • Extending π-conjugation into the second dimension leads to reduced Highest Occupied Molecular Orbital-Lowest Unoccupied Molecular Orbital (HOMO-LUMO) gaps.
  • A significant difference in band gap engineering is observed between 1D and 2D polymers.
  • Oligomer size, cross-conjugation, and dihedral twists critically influence the electronic band gaps.

Conclusions:

  • 2D polymers offer a promising platform for tuning electronic properties in organic materials.
  • The findings provide fundamental insights into 2D band gap engineering.
  • This work paves the way for designing advanced organic electronic materials with tailored optoelectronic characteristics.