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Ionocovalency and Applications 1. Ionocovalency Model and Orbital Hybrid Scales

Ionocovalency (IC), a quantitative dual nature of the atom, is defined and correlated with quantum-mechanical potential to describe quantitatively the dual properties of the bond. Orbiotal hybrid IC model scale, IC, and IC electronegativity scale, X(IC), are proposed, wherein the ionicity and the co...

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Autor principal: Zhang, Yonghe
Formato: Texto
Lenguaje:English
Publicado: Molecular Diversity Preservation International (MDPI) 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3000088/
https://www.ncbi.nlm.nih.gov/pubmed/21151444
http://dx.doi.org/10.3390/ijms11114381
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author Zhang, Yonghe
author_facet Zhang, Yonghe
author_sort Zhang, Yonghe
collection PubMed
description Ionocovalency (IC), a quantitative dual nature of the atom, is defined and correlated with quantum-mechanical potential to describe quantitatively the dual properties of the bond. Orbiotal hybrid IC model scale, IC, and IC electronegativity scale, X(IC), are proposed, wherein the ionicity and the covalent radius are determined by spectroscopy. Being composed of the ionic function I and the covalent function C, the model describes quantitatively the dual properties of bond strengths, charge density and ionic potential. Based on the atomic electron configuration and the various quantum-mechanical built-up dual parameters, the model formed a Dual Method of the multiple-functional prediction, which has much more versatile and exceptional applications than traditional electronegativity scales and molecular properties. Hydrogen has unconventional values of IC and X(IC), lower than that of boron. The IC model can agree fairly well with the data of bond properties and satisfactorily explain chemical observations of elements throughout the Periodic Table.
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spelling pubmed-30000882010-12-10 Ionocovalency and Applications 1. Ionocovalency Model and Orbital Hybrid Scales Zhang, Yonghe Int J Mol Sci Article Ionocovalency (IC), a quantitative dual nature of the atom, is defined and correlated with quantum-mechanical potential to describe quantitatively the dual properties of the bond. Orbiotal hybrid IC model scale, IC, and IC electronegativity scale, X(IC), are proposed, wherein the ionicity and the covalent radius are determined by spectroscopy. Being composed of the ionic function I and the covalent function C, the model describes quantitatively the dual properties of bond strengths, charge density and ionic potential. Based on the atomic electron configuration and the various quantum-mechanical built-up dual parameters, the model formed a Dual Method of the multiple-functional prediction, which has much more versatile and exceptional applications than traditional electronegativity scales and molecular properties. Hydrogen has unconventional values of IC and X(IC), lower than that of boron. The IC model can agree fairly well with the data of bond properties and satisfactorily explain chemical observations of elements throughout the Periodic Table. Molecular Diversity Preservation International (MDPI) 2010-11-03 /pmc/articles/PMC3000088/ /pubmed/21151444 http://dx.doi.org/10.3390/ijms11114381 Text en © 2010 by the authors; licensee Molecular Diversity Preservation International, Basel, Switzerland. http://creativecommons.org/licenses/by/3.0 This article is an open-access article distributed under the terms and conditions of the Creative Commons Attribution license (http://creativecommons.org/licenses/by/3.0/).
spellingShingle Article
Zhang, Yonghe
Ionocovalency and Applications 1. Ionocovalency Model and Orbital Hybrid Scales
title Ionocovalency and Applications 1. Ionocovalency Model and Orbital Hybrid Scales
title_full Ionocovalency and Applications 1. Ionocovalency Model and Orbital Hybrid Scales
title_fullStr Ionocovalency and Applications 1. Ionocovalency Model and Orbital Hybrid Scales
title_full_unstemmed Ionocovalency and Applications 1. Ionocovalency Model and Orbital Hybrid Scales
title_short Ionocovalency and Applications 1. Ionocovalency Model and Orbital Hybrid Scales
title_sort ionocovalency and applications 1. ionocovalency model and orbital hybrid scales
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3000088/
https://www.ncbi.nlm.nih.gov/pubmed/21151444
http://dx.doi.org/10.3390/ijms11114381
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