The Use of Molecular Modeling as 鈥淧seudoexperimental鈥?Data for Teaching VSEPR as a Hands-On General Chemistry Activity

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• 作者：Christopher B. Martin ; Crissie Vandehoef ; Allison Cook
• 刊名：Journal of Chemical Education
• 出版年：2015
• 出版时间：August 11, 2015
• 年：2015
• 卷：92
• 期：8
• 页码：1364-1368
• 全文大小：277K
• ISSN：1938-1328

文摘

A hands-on activity appropriate for first-semester general chemistry students is presented that combines traditional VSEPR methods of predicting molecular geometries with introductory use of molecular modeling. Students analyze a series of previously calculated output files consisting of several molecules each in various geometries. Each structure is analyzed with respect to the calculated relative energies and bond angles and then compared to the predicted geometry obtained using VSEPR theory. Therefore, students gain exposure to and an introductory experience in computational chemistry, while reinforcing the connection between VSEPR theory and 鈥減seudoexperimental鈥?results obtained from the calculations. This exercise can be completed by first-semester general chemistry students in a 3-h time period and without the need for students to learn how to actually perform the calculation themselves. The benefits of the exercise as well as the impact of such visualization activities on spatial orientation, particularly with respect to gender, are discussed.