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Related Concept Videos

Coordination Number and Geometry02:57

Coordination Number and Geometry

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For transition metal complexes, the coordination number determines the geometry around the central metal ion. Table 1 compares coordination numbers to molecular geometry. The most common structures of the complexes in coordination compounds are octahedral, tetrahedral, and square planar.
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Electron Configurations02:46

Electron Configurations

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Electron configurations and orbital diagrams can be determined by applying the Aufbau principle (each added electron occupies the subshell of lowest energy available), Pauli exclusion principle (no two electrons can have the same set of four quantum numbers), and Hund’s rule of maximum multiplicity (whenever possible, electrons retain unpaired spins in degenerate orbitals).
The relative energies of the subshells determine the order in which atomic orbitals are filled (1s, 2s, 2p, 3s, 3p,...
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Electron Configuration of Multielectron Atoms03:26

Electron Configuration of Multielectron Atoms

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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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Structural Isomerism02:34

Structural Isomerism

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Isomerism in Complexes
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
Linkage isomers occur when the coordination compound contains a ligand that can bind to the transition metal center through two different atoms. For example, the CN− ligand can bind through the carbon atom or through the nitrogen atom. Similarly, SCN− can...
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Valence Bond Theory02:42

Valence Bond Theory

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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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Exceptions to the Octet Rule02:55

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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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Determining the Mechanical Strength of Ultra-Fine-Grained Metals
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Odd Configurations in Neutral Nickel (Nil).

Charles Roth

    Journal of Research of the National Bureau of Standards. Section A, Physics and Chemistry
    |June 12, 2020
    PubMed
    Summary

    This study compares experimental and calculated energy levels for Nickel I (Ni I) configurations. Accurate theoretical models were developed by including electrostatic interactions, improving spectral predictions.

    Area of Science:

    • Atomic Physics
    • Quantum Mechanics
    • Spectroscopy

    Background:

    • Nickel I (Ni I) spectral data is crucial for astrophysical and plasma physics applications.
    • Accurate theoretical models are needed to interpret complex atomic spectra.
    • Previous studies have focused on limited configurations of Ni I.

    Purpose of the Study:

    • To compare experimental energy levels of Ni I with calculated values for specific electron configurations.
    • To refine theoretical models by explicitly considering electrostatic interactions between configurations.
    • To improve the accuracy of spectral predictions for Ni I.

    Main Methods:

    • Comparing experimental energy levels with calculated values for 3d^94p, 3d^84s4p, and 3d^95p configurations of Ni I.
    • Incorporating electrostatic interactions between configurations (3d+4s)^94p, 3d^84s4p, and 3d^95p.
    Keywords:
    3d94p + 3d84s4p + 3d95pEnergy levelsg-factorsinteractions between configurationsnickel; (3d+4s)94p

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  • Utilizing parametric fitting methods with a specified number of free parameters.

    • Main Results:

    • Fitting 71 experimental levels for (3d+4s)^94p configurations yielded an rms error of 131 cm^-1 using 17 free parameters.
    • Fitting 83 levels across 3d^94p, 3d^84s4p, and 3d^95p configurations resulted in an rms error of 147 cm^-1 using 25 free parameters.
    • The inclusion of electrostatic interactions significantly improved the agreement between experimental and calculated energy levels.

    Conclusions:

    • The developed theoretical models provide accurate predictions for Ni I energy levels.
    • Explicitly considering electrostatic interactions is essential for precise atomic structure calculations.
    • This work contributes to a better understanding of Ni I spectral properties.