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Related Concept Videos

Ionic Radii03:10

Ionic Radii

34.1K
Ionic radius is the measure used to describe the size of an ion. A cation always has fewer electrons and the same number of protons as the parent atom; it is smaller than the atom from which it is derived. For example, the covalent radius of an aluminum atom (1s22s22p63s23p1) is 118 pm, whereas the ionic radius of an Al3+ (1s22s22p6) is 68 pm. As electrons are removed from the outer valence shell, the remaining core electrons occupying smaller shells experience a greater effective nuclear...
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Ionic Bonding and Electron Transfer02:48

Ionic Bonding and Electron Transfer

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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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Atomic Radii and Effective Nuclear Charge03:08

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The elements in groups of the periodic table exhibit similar chemical behavior. This similarity occurs because the members of a group have the same number and distribution of electrons in their valence shells.
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Crystal Field Theory - Octahedral Complexes02:58

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Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
31.1K
Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

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Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
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π Molecular Orbitals of the Allyl Cation and Anion01:18

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An allyl group is a three-carbon conjugated system where the sp³-hybridized allylic carbon is bonded to a CH=CH2 group via a single bond. Allyl anions can be obtained by treating propene with a strong base that can deprotonate methyl groups. Allyl cations are formed as intermediates during substitution reactions involving allylic halides. In both cases, the hybridization of the allylic carbon changes from sp3 to sp2, giving rise to a carbon chain with three sp2-hybridized carbons, each with...
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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
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Isoelectronic Theory for Cationic Radii.

Noam Agmon1

  • 1The Fritz Haber Research Center, Institute of Chemistry, The Hebrew University of Jerusalem , Jerusalem 91904, Israel.

Journal of the American Chemical Society
|October 4, 2017
PubMed
Summary
This summary is machine-generated.

This study presents a new quantitative method for calculating ionic radii using atomic and orbital radii. This approach accurately reproduces experimental effective ionic radii, offering a theoretical basis for these crucial chemical values.

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Area of Science:

  • Physical Chemistry
  • Solid-State Physics
  • Geochemistry
  • Biophysics

Background:

  • Ionic radii are fundamental in various scientific disciplines.
  • Existing compilations lack a clear theoretical basis and quantitative derivation.
  • The theoretical underpinnings of experimental ionic radii are not well-understood.

Purpose of the Study:

  • To develop a quantitative method for calculating ionic radii for cations.
  • To establish a theoretical framework for understanding ionic radii.
  • To provide a method for predicting cationic attributes.

Main Methods:

  • Charge-weighted averaging of outer (covalent) and inner (closed-shell orbital) radii.
  • Utilizing experimental atomic radii and a modified Slater theory for inner radii.
  • Calculating screening (S) and effective principal quantum number (n*) from ionization energies.

Main Results:

  • Successfully reproduced experimental Shannon-Prewitt effective ionic radii (coordination number 6).
  • Achieved a mean absolute deviation of 0.025 Å, comparable to experimental accuracy.
  • Demonstrated a quantitative derivation for ionic radii.

Conclusions:

  • The developed method provides a robust theoretical basis for ionic radii calculations.
  • The quantitative approach offers high accuracy, matching experimental data.
  • Suggests potential for calculating other cationic properties using similar principles.