键序和键能

IF 1.8 3区化学 Q1 HISTORY & PHILOSOPHY OF SCIENCE Foundations of Chemistry Pub Date : 2023-09-23 DOI:10.1007/s10698-023-09486-7

Peter F. Lang

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引用次数: 0

摘要

这项工作描述了键序的概念。它表明共价键能与键序相关。引入了包含键序的简单表达式来计算同核键和异核键的键能。将计算出的键能值与文献值进行比较，结果表明，在绝大多数情况下，计算值与实验值非常一致。键序揭示了键的强度，并显示了同核和异核共价键中的键数。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Bond order and bond energies

This work describes the concept of bond order. It shows that covalent bond energy is correlated to bond order. Simple expressions which included bond order are introduced to calculate bond energies of homo-nuclear and hetero-nuclear bonds. Calculated values of bond energies are compared with literature values and show there is very good agreement between and calculated and experimental values in the vast majority of cases. Bond order reveals the strength of a bond and shows the number of bonds in both homo-nuclear and hetero-nuclear covalent bonds.

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Foundations of Chemistry HISTORY & PHILOSOPHY OF SCIENCE-

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22.20%

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期刊介绍： Foundations of Chemistry is an international journal which seeks to provide an interdisciplinary forum where chemists, biochemists, philosophers, historians, educators and sociologists with an interest in foundational issues can discuss conceptual and fundamental issues which relate to the `central science'' of chemistry. Such issues include the autonomous role of chemistry between physics and biology and the question of the reduction of chemistry to quantum mechanics. The journal will publish peer-reviewed academic articles on a wide range of subdisciplines, among others: chemical models, chemical language, metaphors, and theoretical terms; chemical evolution and artificial self-replication; industrial application, environmental concern, and the social and ethical aspects of chemistry''s professionalism; the nature of modeling and the role of instrumentation in chemistry; institutional studies and the nature of explanation in the chemical sciences; theoretical chemistry, molecular structure and chaos; the issue of realism; molecular biology, bio-inorganic chemistry; historical studies on ancient chemistry, medieval chemistry and alchemy; philosophical and historical articles; and material of a didactic nature relating to all topics in the chemical sciences. Foundations of Chemistry plans to feature special issues devoted to particular themes, and will contain book reviews and discussion notes. Audience: chemists, biochemists, philosophers, historians, chemical educators, sociologists, and other scientists with an interest in the foundational issues of science.

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