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Protons and neutrons, collectively called nucleons, are packed together tightly in a nucleus. With a radius of about 10−15 meters, a nucleus is quite small compared to the radius of the entire atom, which is about 10−10 meters. Nuclei are extremely dense compared to bulk matter, averaging 1.8 × 1014 grams per cubic centimeter. If the earth’s density were equal to the average nuclear density, the earth’s radius would be only about 200 meters.
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The alkali metal sodium (atomic number 11) has one more electron than the neon atom. This electron must go into the lowest-energy subshell available, the 3s orbital, giving a 1s22s22p63s1 configuration. The electrons occupying the outermost shell orbital(s) (highest value of n) are called valence electrons, and those occupying the inner shell orbitals are called core electrons. Since the core electron shells correspond to noble gas electron configurations, we can abbreviate electron...
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The difference between the calculated and experimentally measured masses is known as the mass defect of the atom. In the case of helium-4, the mass defect indicates a “loss” in mass of 4.0331 amu – 4.0026 amu = 0.0305 amu. The loss in mass accompanying the formation of an atom from protons, neutrons, and electrons is due to the conversion of that mass into energy that is evolved as the atom forms. The nuclear binding energy is the energy produced when the atoms’ nucleons are bound...
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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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Nuclear transmutation is the conversion of one nuclide into another. It can occur by the radioactive decay of a nucleus, or the reaction of a nucleus with another particle. The first manmade nucleus was produced in Ernest Rutherford’s laboratory in 1919 by a transmutation reaction, the bombardment of one type of nuclei with other nuclei or with neutrons. Rutherford bombarded nitrogen-14 atoms with high-speed α particles from a natural radioactive isotope of radium and observed...
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Compared to ionic bonds, which results from the transfer of electrons between metallic and nonmetallic atoms, covalent bonds result from the mutual attraction of atoms for a “shared” pair of electrons.
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Seventeen-Coordinate Actinide Helium Complexes.

Nikolas Kaltsoyannis1

  • 1School of Chemistry, The University of Manchester, Oxford Road, Manchester, M13 9PL, UK.

Angewandte Chemie (International Ed. in English)
|May 17, 2017
PubMed
Summary

Computational studies reveal unprecedented coordination numbers for actinide ions complexed with helium atoms. New record structures, AcHe173+, ThHe174+, and PaHe174+, demonstrate stable, charge-induced dipole bonding in these unique molecular ions.

Keywords:
actinidesatoms in moleculescoordination numberdensity functional theoryhelium

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Area of Science:

  • Computational Chemistry
  • Inorganic Chemistry
  • Quantum Chemistry

Background:

  • Actinide elements exhibit unique electronic properties and complexation behaviors.
  • Understanding the interactions between heavy elements and noble gases is crucial for fundamental chemistry.

Purpose of the Study:

  • To computationally explore the geometries and electronic structures of actinide-helium molecular ions.
  • To establish new coordination number records for actinide complexes.

Main Methods:

  • Density Functional Theory (DFT) calculations.
  • Coupled Cluster (CC) theories.
  • Quantum Theory of Atoms in Molecules (QTAIM) analysis.

Main Results:

  • Discovery of true geometric minima for AcHe173+, ThHe174+, and PaHe174+, setting new coordination number records.
  • Confirmation of closed-shell, charge-induced dipole bonding in AcHe_n^3+ systems (n=1-17).
  • Excellent correlations found between QTAIM metrics and actinide-helium bond distances/binding energies.

Conclusions:

  • Actinide ions can coordinate a significantly larger number of helium atoms than previously thought.
  • Charge-induced dipole interactions are key to the stability of these novel actinide-helium complexes.
  • QTAIM provides valuable insights into the nature and strength of bonding in these systems.