大中专化学教育中的分子模型——酰胺的结构

IF 0.7 Q3 MULTIDISCIPLINARY SCIENCES
K. Kolář, R. Doležal, N. Karaskova, N. Maltsevskaya, Sarka Krizkova
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引用次数: 0

摘要

摘要从量子化学计算结果导出的分子模型是高中化学教育,特别是大学化学教育中的一个重要教学工具类别。这些模型尤其可以用作支持学生通过视觉学习理解的工具,视觉学习可以充分解决许多化学主题的复杂性,结合适当的教学原则,并利用实际信息技术带来的好处。所提出的分子模型是计算化学技术在酰胺基中电子相互作用的教学应用的非平凡例子,即氮原子上的自由电子对与羰基的相互作用,以及酰胺基中的原子与分子中其他周围原子的相互作用。通过这些分子模型,可以应用分子中电子密度分布和由此产生的静电势的知识来解释酰胺的酸碱性质。酰胺的结构和性质在教育中的介绍也很重要,因为酰胺功能涉及许多重要的天然物质(如蛋白质、肽、核酸或生物碱)、合成大分子物质(如Silon)或药物制剂(如扑热息痛)。然后,分子模型有助于更好地理解这些物质的结构,以及与之相关的性质。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Molecular Models in Chemistry Education at University and Upper Secondary School - Structure of Amides
Abstract Molecular models derived from results of quantum-chemical calculations present an important category of didactic instruments in chemistry education in upper secondary school and, particularly, at university. These models can be used especially as tools for supporting the students’ understanding by visual learning, which can adequately address complexity of many chemical topics, incorporate appropriate didactic principles, as well as utilize the benefits brought up by the actual information technology. The proposed molecular models are non-trivial examples of didactic application of computational chemistry techniques in illustration of electron interactions in amidic group, namely the interaction of the free electron pair on the nitrogen atom with the carbonyl group and also the interaction of atoms in the amide group with other surrounding atoms in the molecule. By these molecular models it is possible to explain acid-base properties of amides applying knowledge of electron density distribution in the molecules and the resulting electrostatic potential. Presentation of the structure and properties of the amides within education is important also for the reason that amidic functions are involved in many important natural substances (e.g. proteins, peptides, nucleic acids or alkaloids), synthetic macromolecular substances (e.g. Silon) or pharmaceutical preparations (e.g. paracetamol). Molecular models then serve to support better understanding of the structure of these substances and, in relation to it, their properties.
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来源期刊
Chemistry-Didactics-Ecology-Metrology
Chemistry-Didactics-Ecology-Metrology MULTIDISCIPLINARY SCIENCES-
CiteScore
1.50
自引率
50.00%
发文量
2
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