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Literature DB >> 20967377

A suggested periodic table up to Z≤ 172, based on Dirac-Fock calculations on atoms and ions.

Abstract

Extended Average Level (EAL) Dirac-Fock calculations on atoms and ions agree with earlier work in that a rough shell-filling order for the elements 119-172 is 8s < 5g≤ 8p(1/2) < 6f < 7d < 9s < 9p(1/2) < 8p(3/2). The present Periodic Table develops further that of Fricke, Greiner and Waber [Theor. Chim. Acta 1971, 21, 235] by formally assigning the elements 121-164 to (nlj) slots on the basis of the electron configurations of their ions. Simple estimates are made for likely maximum oxidation states, i, of these elements M in their MX(i) compounds, such as i = 6 for UF(6). Particularly high i are predicted for the 6f elements.

Year: 2010 PMID： 20967377 DOI： 10.1039/c0cp01575j

Source DB: PubMed Journal: Phys Chem Chem Phys ISSN： 1463-9076 Impact factor: 3.676

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Cited

7 in total

1. Formal structure of periodic system of elements.

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3. Fully relativistic study of polyatomic closed shell E121X₃ (X = F, Cl, Br) molecules: effects of Gaunt interaction, relativistic effects and advantages of an exact-two component (X2C) hamiltonian.

Authors: Alan Sena Pinheiro; Ricardo Gargano; Paulo Henrique Gomes Dos Santos; Luiz Guilherme Machado de Macedo
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4. Synthesis, structure, and reactivity of crystalline molecular complexes of the {[C₅H₃(SiMe₃)₂]₃Th}^1- anion containing thorium in the formal +2 oxidation state.

Authors: Ryan R Langeslay; Megan E Fieser; Joseph W Ziller; Filipp Furche; William J Evans
Journal: Chem Sci Date: 2014-11-03 Impact factor: 9.825

A suggested periodic table up to Z≤ 172, based on Dirac-Fock calculations on atoms and ions.

1. Formal structure of periodic system of elements.

Review 2. Understanding Periodic and Non-periodic Chemistry in Periodic Tables.

3. Fully relativistic study of polyatomic closed shell E121X₃ (X = F, Cl, Br) molecules: effects of Gaunt interaction, relativistic effects and advantages of an exact-two component (X2C) hamiltonian.

4. Synthesis, structure, and reactivity of crystalline molecular complexes of the {[C₅H₃(SiMe₃)₂]₃Th}^1- anion containing thorium in the formal +2 oxidation state.

5. Octacarbonyl Ion Complexes of Actinides [An(CO)₈ ]^+/- (An=Th, U) and the Role of f Orbitals in Metal-Ligand Bonding.

6. Structural Characteristics, Population Analysis, and Binding Energies of [An(NO₃)]²⁺ (with An = Ac to Lr).

7. Understanding the Uniqueness of 2p Elements in Periodic Tables.

A suggested periodic table up to Z≤ 172, based on Dirac-Fock calculations on atoms and ions.

1. Formal structure of periodic system of elements.

Review 2. Understanding Periodic and Non-periodic Chemistry in Periodic Tables.

3. Fully relativistic study of polyatomic closed shell E121X3 (X = F, Cl, Br) molecules: effects of Gaunt interaction, relativistic effects and advantages of an exact-two component (X2C) hamiltonian.

4. Synthesis, structure, and reactivity of crystalline molecular complexes of the {[C5H3(SiMe3)2]3Th}1- anion containing thorium in the formal +2 oxidation state.

5. Octacarbonyl Ion Complexes of Actinides [An(CO)8 ]+/- (An=Th, U) and the Role of f Orbitals in Metal-Ligand Bonding.

6. Structural Characteristics, Population Analysis, and Binding Energies of [An(NO3)]2+ (with An = Ac to Lr).

7. Understanding the Uniqueness of 2p Elements in Periodic Tables.

3. Fully relativistic study of polyatomic closed shell E121X₃ (X = F, Cl, Br) molecules: effects of Gaunt interaction, relativistic effects and advantages of an exact-two component (X2C) hamiltonian.

4. Synthesis, structure, and reactivity of crystalline molecular complexes of the {[C₅H₃(SiMe₃)₂]₃Th}^1- anion containing thorium in the formal +2 oxidation state.

5. Octacarbonyl Ion Complexes of Actinides [An(CO)₈ ]^+/- (An=Th, U) and the Role of f Orbitals in Metal-Ligand Bonding.

6. Structural Characteristics, Population Analysis, and Binding Energies of [An(NO₃)]²⁺ (with An = Ac to Lr).