Electronic configurations and atomic term symbols

1956 ◽  
Vol 33 (3) ◽  
pp. 144 ◽  
Author(s):  
N. W. Gregory
Keyword(s):  
Electronic Configurations ◽  
Atomic Term

scholarly journals Structural tuning of heterogeneous molecular catalysts for electrochemical energy conversion

2021 ◽  
Vol 7 (13) ◽  
pp. eabf3989
Author(s):  
Jiong Wang ◽  
Shuo Dou ◽  
Xin Wang
Keyword(s):  
Energy Conversion ◽  
Model Systems ◽  
Structural Variations ◽  
Metal Centers ◽  
Electrochemical Energy Conversion ◽  
Electronic Configurations ◽  
Coordination Spheres ◽  
The Stability ◽  
Molecular Catalysts ◽  
Electrochemical Energy

Heterogeneous molecular catalysts based on transition metal complexes have received increasing attention for their potential application in electrochemical energy conversion. The structural tuning of first and second coordination spheres of complexes provides versatile strategies for optimizing the activities of heterogeneous molecular catalysts and appropriate model systems for investigating the mechanism of structural variations on the activity. In this review, we first discuss the variation of first spheres by tuning ligated atoms; afterward, the structural tuning of second spheres by appending adjacent metal centers, pendant groups, electron withdrawing/donating, and conjugating moieties on the ligands is elaborated. Overall, these structural tuning resulted in different impacts on the geometric and electronic configurations of complexes, and the improved activity is achieved through tuning the stability of chemisorbed reactants and the redox behaviors of immobilized complexes.

scholarly journals Characterization of Charge States in Conducting Organic Nanoparticles by X-ray Photoemission Spectroscopy

Materials ◽  
2021 ◽  
Vol 14 (8) ◽  
pp. 2058
Author(s):  
Jordi Fraxedas ◽  
Antje Vollmer ◽  
Norbert Koch ◽  
Dominique de Caro ◽  
Kane Jacob ◽  
...  
Keyword(s):  
Partial Oxidation ◽  
Chemical Shifts ◽  
Large Family ◽  
Photoemission Spectroscopy ◽  
Intrinsic Structure ◽  
X Ray ◽  
Level Lines ◽  
Donor And Acceptor ◽  
Electronic Configurations

The metallic and semiconducting character of a large family of organic materials based on the electron donor molecule tetrathiafulvalene (TTF) is rooted in the partial oxidation (charge transfer or mixed valency) of TTF derivatives leading to partially filled molecular orbital-based electronic bands. The intrinsic structure of such complexes, with segregated donor and acceptor molecular chains or planes, leads to anisotropic electronic properties (quasi one-dimensional or two-dimensional) and morphology (needle-like or platelet-like crystals). Recently, such materials have been synthesized as nanoparticles by intentionally frustrating the intrinsic anisotropic growth. X-ray photoemission spectroscopy (XPS) has emerged as a valuable technique to characterize the transfer of charge due to its ability to discriminate the different chemical environments or electronic configurations manifested by chemical shifts of core level lines in high-resolution spectra. Since the photoemission process is inherently fast (well below the femtosecond time scale), dynamic processes can be efficiently explored. We determine here the fingerprint of partial oxidation on the photoemission lines of nanoparticles of selected TTF-based conductors.

Investigations of Actinide Metals and Compounds under Pressure Provide Important Insights into Bonding and Chemistry

2003 ◽  
Vol 802 ◽  
Author(s):  
R. G. Haire ◽  
S. Heathman ◽  
T. Le Bihan ◽  
A. Lindbaum ◽  
M. Iridi
Keyword(s):  
Structural Changes ◽  
Chemical Properties ◽  
X Ray Diffraction ◽  
Interatomic Distances ◽  
X Ray ◽  
Effect Of Pressure ◽  
Electronic Configurations ◽  
5F Electrons ◽  
Actinide Series ◽  
Alloys And Compounds

ABSTRACTOne effect of pressure on elements and compounds is to decease their interatomic distances, which can bring about dramatic perturbations in their electronic nature and bonding, which can be reflected in changes in physical and/or chemical properties. One important issue in the actinide series of elements is the effect of pressure on the 5f-electrons. We have probed changes in electronic behavior with pressure by monitoring structure by X-ray diffraction, and have studied several actinide metals and compounds from thorium through einsteinium. These studies have employed angle dispersive diffraction using synchrotron radiation, and energy dispersive techniques via conventional X-ray sources. The 5f-electrons of actinide metals and their alloys are often affected significantly by pressure, while with compounds, the structural changes are often not linked to the involvement of 5 f-electron. We shall present some of our more recent findings from studies of selected actinide metals, alloys and compounds under pressure. A discussion of the results in terms of the changes in electronic configurations and bonding with regard to the element's position in the series is also addressed.

Die Bestimmung der Terme äquivalenter Elektronen bei LS-Kopplung / Determination of Terms for LS-coupled Equivalent Electrons

1972 ◽  
Vol 27 (8-9) ◽  
pp. 1216-1221
Author(s):  
Heinz Kleindienst
Keyword(s):  
Group Theory ◽  
Pauli Principle ◽  
Simple Method ◽  
Electronic Configurations

Abstract In this paper a simple method for the determination of all antisymmetric terms allowed according to Pauli principle is presented. Using group theory it allows to evaluate the terms for all electronic configurations of the type lr with l≦ 3.

Electronic Configurations of Superheavy Elements

1996 ◽  
Vol 65 (10) ◽  
pp. 3175-3179 ◽  
Author(s):  
Koichiro Umemoto ◽  
Susumu Saito
Keyword(s):  
Superheavy Elements ◽  
Electronic Configurations

CH2O Adsorption on M (M = Li, Mg and Al) Atom Deposited ZnO Nano-Cage: DFT Study

2018 ◽  
Vol 786 ◽  
pp. 384-392 ◽  
Author(s):  
Hussein Y. Ammar
Keyword(s):  
Density Functional Theory ◽  
Bond Length ◽  
Density Functional ◽  
Functional Theory ◽  
The Density Functional Theory ◽  
Structural And Electronic Properties ◽  
Formaldehyde Molecule ◽  
Electronic Configurations ◽  
Adsorption Energies ◽  
Homo Lumo

The structural and electronic properties of Li, Mg and Al deposited ZnO nanocages and their effects on the adsorption of formaldehyde molecule have been investigated using the density functional theory (DFT) computations. To understand the behavior of the adsorbed CH2O molecule on the ZnO nanocage, results of DFT calculations of the M-deposited nanocages (M=Li, Mg and Al), as well as complex systems consisting of the adsorbed CH2O molecule on M-deposited ZnO nanocage were reported. The results presented include adsorption energies, bond lengths, electronic configurations, density of states and molecular orbitals. It was found that, the most energetically stable adsorption configurations of CH2O molecule on the bare ZnO leads to 12% dilation in C=O bond length of CH2O and 14% decrease in HOMO-LUMO gap of ZnO cluster. The most energetically stable adsorption configurations of CH2O molecule on Li, Mg and Al-deposited ZnO lead to 4%, 4% and 11% dilation in C=O bond length of CH2O and-0.66, -45 and , +66% change in HOMO-LUMO gap of ZnO nanocages, respectively. The interaction between CH2O with bare ZnO and M-deposited ZnO nanocages is attributed to charge transfer mechanism. These results may be meaningful for CH2O degradation and detection.

scholarly journals CONTRADICTION TO THE TABLE OF D. I. MENDELEEV AND THEIR ELIMINATION

2021 ◽  
Vol 2 (446) ◽  
pp. 14-21
Author(s):  
N.К. Akhmetov ◽  
G.U. Ilyasova ◽  
S. K. Kazybekova
Keyword(s):  
Quantum Number ◽  
Periodic Table ◽  
Chemical Elements ◽  
Principal Quantum Number ◽  
Quantum States ◽  
Outer Electron ◽  
New Approach ◽  
Electronic Configurations ◽  
New Formula ◽  
Electron Shells

The article discusses a new approach to the formation of periods of the Periodic Table of Mendeleev. With the help of the new formula and the first proposed quantum states of the outer electron shells of atoms of chemical elements, the periods of the periodic table are reformatted. It is supposed to reduce the number of periods in the table by introducing the corresponding sub-periods. This is confirmed by the material given in the article. The following description of the order of formation of electron layers is proposed: the principal quantum number (n), then the newly proposed quantum states of electrons («first» and «second»), which in turn constitute the electronic configurations of sub-periods in periods, and only then the remaining quantum orbitals (s, p, d and f).

scholarly journals Stability and magnetic properties of isomorphous substituted Si7-xMnx+

2018 ◽  
Vol 56 (1) ◽  
pp. 64
Author(s):  
Nguyen Thanh Tung ◽  
Nguyen Thi Mai ◽  
Ngo Tuan Cuong
Keyword(s):  
Density Functional Theory ◽  
Magnetic Properties ◽  
Magnetic Moment ◽  
Density Functional ◽  
Basis Set ◽  
Pentagonal Bipyramid ◽  
Functional Theory ◽  
Electronic Configurations ◽  
Method Of Density Functional ◽  
Optimized Geometries

The optimized geometries, stability, and magnetic properties of cationic clusters Si7+, Si6Mn+, and Si5Mn2+ have been determined by the method of density functional theory using the B3P86/6-311+G(d) functional/basis set. Their electronic configurations have been analyzed to understand the influence of substituting Si atoms by Mn atoms on the structural and magnetic aspects of Si7+. It is shown that the manganese dopant does not alter the structure of the silicon host but significantly changes its stability and magnetism. In particular, while the magnetic moment of Si7+ is 1 mB, Si5Mn2+ exhibits a strong magnetic moment of 9 mB and that of Si6Mn+ takes a relatively high value of 4 mB. Among studied clusters, the pentagonal bipyramid Si5Mn2+ is assigned as the most stable one.

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