<abstract xmlns="http://www.w3.org/1999/xhtml"><p>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.</p></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.

Molecular Models in Chemistry Education at University and Upper Secondary School - Structure of Amides

Department of Chemistry, Faculty of Sciences

Department of Chemistry and Chemical Education, Faculty of Education

Department of Information Technologies, Faculty of Informatics and Management

Chemistry-Didactics-Ecology-Metrology

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

Molecular models derived from results of quantum-chemical calculations present an important category of didactic instruments in chemistry education in upper...

Molecular Models in Chemistry Education at University and Upper Secondary School - Structure of Amides

Data publikacji: 24 lut 2020

Zakres stron: 45 - 51

DOI: https://doi.org/10.2478/cdem-2019-0003

Słowa kluczowe
acidity, amides, basicity, electrostatic potential, molecular models

© 2019 Karel Kolář et al., published by Sciendo

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

Molecular Models in Chemistry Education at University and Upper Secondary School - Structure of Amides

Data publikacji: 24 lut 2020

Zakres stron: 45 - 51

DOI: https://doi.org/10.2478/cdem-2019-0003

Słowa kluczoweacidity, amides, basicity, electrostatic potential, molecular models

© 2019 Karel Kolář et al., published by Sciendo

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

Słowa kluczowe
acidity, amides, basicity, electrostatic potential, molecular models