Computer Based Projects for a Chemistry Curriculum

Author(s): Thomas J. Manning and Aurora P. Gramatges

DOI: 10.2174/9781608051939113010012

Modeling Weak Acids and Bases

Pp: 71-78 (8)

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Abstract

In this exercise students will model the structures of monoprotic, diprotic, triprotic acids, and their conjugate bases. Students will calculate the dipole moment, molecular volume and surface area of each molecule and calculate the atomic charges on each atom in the molecules. Students will look for correlations between the acids pKa, its dipole moment and the atomic charges on the atoms closest to the protonation/deprotonation site.

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