New development of concept of electronegativity |
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Authors: | KeYan Li and DongFeng Xue |
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Institution: | (1) Department of Materials Science and Chemical Engineering, School of Chemical Engineering, Dalian University of Technology, Dalian, 116012, China |
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Abstract: | The concept of electronegativity (EN), which was proposed by Pauling in 1932, is closely related to such properties of molecules
as the polarizability, hardness (softness) and charge distribution, and is an important theoretical basis for judging the
properties of substances. With the development of new materials and the increase of interdisciplinary cooperation, EN has
been a basic atomic parameter which is widely used in the fields of chemistry, physics and materials science. The development
of EN has involved three stages, atomic EN, ionic EN and bond EN. The ionic EN, which is the EN values of elements in different
valence states by including the chemical environment of atoms, accurately describes various physical and chemical properties
of ions and compounds. The bond EN is a bridge linking atomic EN and the properties of materials, which helps us to establish
the quantitative correlation between macroscopic properties and microscopic electronic structures of materials. The concepts
of ionic EN and bond EN broaden the scope of EN theory, and play important roles in the design of novel materials. This paper
presents a detailed introduction of a new development of EN and its applications in materials research.
Supported by the Program for New Century Excellent Talents in University (Grant No. NCET-05-0278) and Foundation for the Author
of National Excellent Doctoral Dissertation of China (Grant No. 200322) |
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Keywords: | electronegativity atoms ions chemical bonds materials design |
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