Physical origin of chemical periodicities in the system of elements

Физическое происхождение химических периодичностей в системе элементов
Changsu Cao, Han‐Shi Hu, Jun Li, W. H. Eugen Schwarz
2019-11-30

Periodic Lawatomic valence shellschemical periodicitieselemental propertiesquantum chemical rationalization
Abstract The Periodic Law, one of the great discoveries in human history, is magnificent in the art of chemistry. Different arrangements of chemical elements in differently shaped Periodic Tables serve for different purposes. “Can this Periodic Table be derived from quantum chemistry or physics?” can only be answered positively, if the internal structure of the Periodic Table is explicitly connected to facts and data from chemistry. Quantum chemical rationalization of such a Periodic Tables is achieved by explaining the details of energies and radii of atomic core and valence orbitals in the leading electron configurations of chemically bonded atoms. The coarse horizontal pseudo-periodicity in seven rows of 2, 8, 8, 18, 18, 32, 32 members is triggered by the low energy of and large gap above the 1s and n sp valence shells (2 ≤ n ≤ 6 !). The pseudo-periodicity, in particular the wavy variation of the elemental properties in the four longer rows, is due to the different behaviors of the s and p vs. d and f pairs of atomic valence shells along the ordered array of elements. The so-called secondary or vertical periodicity is related to pseudo-periodic changes of the atomic core shells. The Periodic Law of the naturally given System of Elements describes the trends of the many chemical properties displayed inside the Chemical Periodic Tables. While the general physical laws of quantum mechanics form a simple network, their application to the unlimited field of chemical materials under ambient ‘human’ conditions results in a complex and somewhat accidental structure inside the Table that fits to some more or less symmetric outer shape. Periodic Tables designed after some creative concept for the overall appearance are of interest in non-chemical fields of wisdom and art.
1
Quantum mechanics provides general organizing laws, but chemical properties under ambient conditions produce a complex and partly accidental internal structure within Periodic Tables.
2
Secondary or vertical periodicity reflects pseudo-periodic changes in atomic core shells.
3
The Periodic Table can be physically rationalized by connecting its structure to energies and radii of atomic core and valence orbitals in chemically bonded atoms.
4
The seven horizontal rows containing 2, 8, 8, 18, 18, 32, and 32 elements arise from low-energy 1s and nsp valence shells and the large energy gaps above them.
5
Wavy property trends in the four longer periods result from differing behavior of paired s and p shells compared with paired d and f valence shells.

the chemical elements and their arrangement in the Chemical Periodic Table

the quantum-chemical and physical origins of the horizontal pseudo-periodicity, wavy elemental-property trends, and secondary vertical periodicity arising from atomic core and valence orbital energies, radii, and shell structure

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2019-11-30
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Changsu Cao
Han‐Shi Hu
Jun Li
W. H. Eugen Schwarz
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