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Videos de Conceptos Relacionados

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

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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 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:
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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.
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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.
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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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conjugación π-electrónica en dos dimensiones.

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
Resumen
Este resumen es generado por máquina.

La síntesis de polímeros bidimensionales (2D) extiende la conjugación π, creando nuevos materiales electrónicos orgánicos con espacios de banda más pequeños que sus contrapartes unidimensionales (1D). Esta investigación explora la ingeniería de brecha de banda de polímero 2D para electrónica orgánica avanzada.

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Área de la Ciencia:

  • Ciencia de los materiales Ciencia de los materiales.
  • Química orgánica es la química orgánica.
  • Física de la materia condensada Física de la materia condensada

Sus antecedentes:

  • Los dispositivos electrónicos orgánicos se basan en oligómeros y polímeros conjugados con π.
  • Los avances recientes permiten la síntesis de polímeros planos bidimensionales (2D).
  • Los materiales orgánicos hechos a medida son cruciales para la electrónica de próxima generación.

Objetivo del estudio:

  • Investigar las propiedades electrónicas de los polímeros 2D en comparación con los polímeros 1D.
  • Para entender cómo la extensión de π-conjugación en la segunda dimensión afecta a las propiedades de los materiales.
  • Explorar nuevas estrategias de ingeniería de brecha de banda en materiales orgánicos.

Principales métodos:

  • Cálculos de la teoría funcional de la densidad (DFT).
  • Modelado computacional de polímeros 2D sintetizados experimentalmente.
  • Análisis de las relaciones estructura-propiedad, incluida la longitud de conjugación, la conjugación cruzada y los giros diédricos.

Principales resultados:

  • Extender la conjugación π a la segunda dimensión conduce a una reducción de las brechas entre la órbita molecular ocupada más alta y la órbita molecular desocupada más baja (HOMO-LUMO).
  • Se observa una diferencia significativa en la ingeniería de la brecha de banda entre los polímeros 1D y 2D.
  • El tamaño del oligómero, la conjugación cruzada y los giros diédricos influyen críticamente en las brechas de banda electrónica.

Conclusiones:

  • Los polímeros 2D ofrecen una plataforma prometedora para ajustar las propiedades electrónicas de los materiales orgánicos.
  • Los hallazgos proporcionan información fundamental sobre la ingeniería de brechas de banda 2D.
  • Este trabajo allana el camino para el diseño de materiales electrónicos orgánicos avanzados con características optoelectrónicas a medida.