Formula Periodic TablesTheir Construction and Related Symmetries

Dias, Jerry Ray

doi:10.1021/ci9500804

Cited by 8 publications

(3 citation statements)

References 25 publications

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“…8,10 These preliminary forecasts are comparable to preliminary neural-network predictions for the same molecules. Periodic tables of polycyclic aromatic hydrocarbons, 11,12 of functional groups, 13 and even in principle of all molecules 14 have also been created; they typically include molecules with various numbers of atoms. Unfortunately, few graphical displays of the data are provided.…”

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confidence: 99%

Periodic Systems of Molecules as Elements of Shchukarev's “Supermatrix”, i.e. the Chemical Element Periodic System

Latysheva

Hefferlin

2004

J. Chem. Inf. Comput. Sci.

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Generations of Soviet scientists contributed invaluable insights into molecular classification. Unfortunately, this research is little appreciated in much of the world. Among these workers S. A. Shchukarev was of great importance. His and his followers' legacy includes a host of graphical displays showing enthalpies of formation of gaseous molecules from free atoms DeltaH(a) and standard enthalpies of formation of substances plotted on the atomic number of the central elements, on their oxidation states, their internuclear separations, and other variables for a wide range of molecules. These graphs serve as databases, from which data can be extracted, to moderate precision, visually. We discuss graphs for one very limited set, or "pleiade" (gas-phase oxides of nitrogen), and for three much broader sets, or subsystems (gas-phase fluorides of all main subgroup atoms and oxides of transition-metal atoms in gas-phase and in STP conditions). When dissolved in water, molecules lose their identities but periodicity is echoed in the acids and aquocations that are formed. We show, as an example in tabular form, that redox potentials of high-oxygen acids containing S, Se, and Te change concomitantly with DeltaH(a ) and DeltaH(f) of their hexafluorides. We present graphical evidence that three properties for cations of groups 1-3 (in the short version of the periodic chart) behave similarly and share the periodicity of the elements. One of the properties is related to the ionization potential, which is shown in a tabular example to vary concomitantly with energy of hydration. It was the ultimate goal of S. A. Shchukarev that the transformation of any one graphical database into any other, having different molecules under different conditions, would be made mathematically.

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confidence: 99%

Periodic Systems of Molecules as Elements of Shchukarev's “Supermatrix”, i.e. the Chemical Element Periodic System

Latysheva

Hefferlin

2004

J. Chem. Inf. Comput. Sci.

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“…The advent of computer-aided literature searches was largely responsible for the realization that not only other Russian (Morozov, Syrkin), but also American [43], British [44], Chinese (Kong), and German [45] scientists had published periodic classifications of molecules. Most of these had proceeded in the same way as had our group in that "all" of the molecules with a fixed number of atoms, invariably starting with two, were included; we choose to call these "physical periodic systems."…”

Section: Completion Of the Four-dimensional Periodic System Of Diatommentioning

confidence: 99%

“…Most of these had proceeded in the same way as had our group in that "all" of the molecules with a fixed number of atoms, invariably starting with two, were included; we choose to call these "physical periodic systems." The other systems [43,45] are classifications of specific kinds of molecules with various numbers of atoms, such as polycyclic aromatic hydrocarbons or fluorine functional groups; we choose to call these "chemical periodic systems" [1,2].…”

Section: Completion Of the Four-dimensional Periodic System Of Diatommentioning

confidence: 99%

Kronecker-Product Periodic Systems of Small Gas-Phase Molecules and the Search for Order in Atomic Ensembles of Any Phase

Hefferlin¹

2008

CCHTS

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The periodic law, manifested in the chart of the elements, is so fundamental in chemistry and related areas of physics that the question arises "Might periodicity among molecules also be embodied in a periodic system?" This review paper details how a particular periodic system of gas-phase diatomic molecules, allowing for the forecasting of thousands of new data, was developed. It can include ionized and even quarked-nuclei molecules and it coincides with locality (averaging) and the additivity found in some data; it has interesting vector properties, and it may be related in challenging ways to partial order. The review then explains how periodic systems for triatomic and four-atomic species are evolving along a similar path. The systems rest largely upon exhaustive comparisons of tabulated data, relate to some extent to the octet rule, and include reducible representations of the dynamic group SO(4) in higher spaces. Finally, the paper shows how periodicity can be quantified in data for larger molecules. Data for properties of homologous or substituted molecules, in any phase, are quantified with a vector index, and the index for one set can be transformed into that for another set.

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The Periodics Systems of Molecules

Hefferlin

Philosophy of Chemistry

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Formula Periodic TablesTheir Construction and Related Symmetries

Cited by 8 publications

References 25 publications

Periodic Systems of Molecules as Elements of Shchukarev's “Supermatrix”, i.e. the Chemical Element Periodic System

Periodic Systems of Molecules as Elements of Shchukarev's “Supermatrix”, i.e. the Chemical Element Periodic System

Kronecker-Product Periodic Systems of Small Gas-Phase Molecules and the Search for Order in Atomic Ensembles of Any Phase

The Periodics Systems of Molecules

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