Using Gaussian and GaussView software for effective teaching of chemistry by drawing molecules

Document Type : Original research

Authors

1 Chemistry teacher in education department of Qazvin region 2, Qazvin, Iran

2 Department of Chemistry, Faculty of Science, University of Zanjan, 45371-38791 Zanjan, Iran

Abstract

The use of visual effects and visual media in chemistry education is very effective and can make the classroom attractive and impress the audience in addition to facilitating the learning of the chemistry concepts and rules. Therefore, this type of learning can be considered a type of visual learning style. In this article, first, a number of the polar and non-polar molecules in high school chemistry books were drawn using GaussView software. Then, in order to achieve the optimized structure of the molecules and their various characteristics, Gaussian software was used. These calculations include optimizing the energy level of the molecule, determining the electric charge of the atoms that make up the molecule, determining the dipole moment of the molecule, displaying the contours around the molecule, displaying electrostatic potential maps, and obtaining the HOMO and LUMO molecular orbitals. From among the different molecules, the structure of water molecule was discussed in more detail. In addition, Gaussian's calculations were performed on some other molecules such as ammonia, methanol, formaldehyde, methane, carbon dioxide, and oxygen. Various molecules were used for drawing to cover many concepts of chemistry. Moreover, the steps of drawing molecules and displaying their properties has also been described.

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