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Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
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Overview of Valence Bond Theory
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Many covalent molecules have central atoms that do not have eight electrons in their Lewis structures. These molecules fall into three categories:
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Lewis symbols can be used to indicate the formation of covalent bonds, which are shown in Lewis structures—drawings that describe the bonding in molecules and polyatomic ions. The periodic table can be used to predict the number of valence electrons in an atom and the number of bonds that will be formed to reach an octet. Group 18 elements, such as argon and helium, have filled electron configurations and thus rarely participate in chemical bonding. However, atoms from group 17, such as...
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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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In most main group element compounds, the valence electrons of the isolated atoms combine to form chemical bonds that satisfy the octet rule. For instance, the four valence electrons of carbon overlap with electrons from four hydrogen atoms to form CH4. The one valence electron leaves sodium and adds to the seven valence electrons of chlorine to form the ionic formula unit NaCl (Figure 1a). Transition metals do not normally bond in this fashion. They primarily form coordinate covalent bonds, a...
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From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
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Covalencia en el hexacloruro de americio

Justin N Cross1, Jing Su1, Enrique R Batista1

  • 1Los Alamos National Laboratory , Los Alamos, New Mexico 87545, United States.

Journal of the American Chemical Society
|June 15, 2017
PubMed
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Este resumen es generado por máquina.

Comprender la covalencia es crucial para las propiedades de los materiales. Este estudio cuantifica el enlace covalente en las interacciones Am-Cl utilizando espectroscopia de absorción de rayos X, confirmando la hipótesis de Seaborg sobre la covalencia orbital 5f del americio.

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Área de la Ciencia:

  • Enlace químico
  • Espectroscopia
  • Ciencias de los materiales

Sus antecedentes:

  • La covalencia, o mezcla orbital, es fundamental para las propiedades químicas y físicas.
  • Cuantificar la covalencia es un desafío, lo que lleva al debate científico, especialmente con respecto al comportamiento del americio.
  • Las hipótesis anteriores sobre la covalencia orbital del americio 5f han sido objeto de debate durante décadas.

Objetivo del estudio:

  • Para cuantificar el grado de enlace covalente en la interacción Am-Cl dentro de AmCl63-.
  • Para investigar el papel de 5f y 6d orbital mezcla en compuestos de americio.
  • Para comparar la covalencia en AmCl63- con los sistemas isoelectrónicos como EuCl63-.

Principales métodos:

  • Se empleó la espectroscopia de absorción de rayos X de borde ligando K (XAS).
  • Se realizaron cálculos de estructura electrónica para analizar las interacciones orbitales.
  • Se utilizaron datos espectroscópicos y computacionales para cuantificar el enlace covalente.

Principales resultados:

  • Los orbitales 5f y 6d de Am mezclados con los orbitales Cl 3p.
  • La mezcla orbital de los orbitales Am 6d fue más sustancial que la de los orbitales 5f.
  • Los resultados confirmaron la hipótesis de Seaborg con respecto a que la covalencia Am 5f-orbital es mayor que la mezcla Eu 4f-orbital.

Conclusiones:

  • El estudio cuantificó con éxito la covalencia en el desafiante sistema Am-Cl.
  • El ligand K-edge XAS y los cálculos de la estructura electrónica proporcionan métodos robustos para estudiar la mezcla orbital.
  • Los hallazgos validan las hipótesis de larga data sobre la naturaleza de los enlaces en los compuestos actínidos.