Bond theories and d densities in coordination chemistry
We use the tool Mathematica1 to draw d densities on the basis of d functions through some equations proposed by T. Takeshima2. It allow us to have a shape for the transitions ions. Now it is easy to deduce their coordination number, the spatial structure and to understand the chemistry of coordination compounds. In this course some details on magnetism and spectroscopy are shown that enable the understanding of discussions about bond theories in coordination compounds presented towards the end.
Finally, we made the d graphics dynamic with Live-Graphics, and Webmathematica, which allows dynamic behaviour and interactivity. We use a hide whole equation so that the students can drop the electron numbers of each d orbital and the program answers by showing the density graphics of the metal ions that can be moved with the mouse. In this course there are other interactive tools to try.
Acknowledgements
- We would like to thank Professor O. Lezama, who was the director of the Virtual University Program when we started the development of our interactive courses, for all his support during those initial stages of this work.
- Computer Science professionals Rodolfo Hernández and Saul Figueroa deserve a special mention for their hard work in the design and development of the first version of our courses.
- We would also like to highlight the work of the company Slabcode S.A.S, who were responsible for improving the overall design of the courses and updating (2017) the required technologies for their proper rendering and visualization.
- We also thank the engineer G. Amaiz for transferring the Flash source code, no longer available, to current languages (2021) for the proper functioning of the courses.
References
- http://www.wolfram.com/
- Takahashi, J., J. Nat. Ins. Mat. Chem. Res. 1997, 5(3), 99.
Contact
Professor Arnulfo Poveda-Pinilla
Departamento de Química, Facultad de Ciencias, Universidad Nacional de Colombia - Sede Bogotá