水素結合の視覚教材化

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概要

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• The title materials have been developed by means of computational chemistry. First, geometries of hydrogen-bond systems are constructed qualitatively in terms of the bond directionality. Second, the hydrogen-bond strength is assessed by the Coulombic and charge-transfer interactions. Third, various geometric isomers of hydrogen-bond systems are obtained, and the stable and favorable one is determined as the lowest energy minimum. The quantitative computational result is consistent with the prediction of a molecular model extended to the intermolecular interactions. The teaching materials may be used to demonstrate the important character of hydrogen bonds, i.e. the bond directionality. Familiar dimer systems, (H2O)2, (HF)2, (CH3COOH)2, are investigated, and the computed hydrogen bond energies are compared with the experimental ones where available. The high boiling point (100℃) of water and the lower density of ice (than that of water) are explicable intuitively by our materials. Macroscopic phenomena should be described by microscopic behavior, i.e. interactions of molecules. In this respect, the present materials are thought to be useful for education of general chemistry. Computational chemistry is now of reliable accuracy, and can be applied to chemical education. The development of teaching materials for hydrogen bonds is the first step towards systematic compilation of new ones in the microscopic world.

• 奈良教育大学教育学部附属教育実践総合センターの論文

著者

• 山崎 祥子

  奈良教育大学教育学部

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• 水素結合の視覚教材化

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