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Steve Ryan

How can I account for unbonded electron pairs?


Am I missing something? Or is this only meant for single-element structures?


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    Baudilio Tejerina

    Hi Steve.

    The VSEPR model may be applied in three steps: First, to determine the number of electron pairs in the valence shell of the central atom. Second, to determine the distribution/configuration of the pairs (on the surface of a sphere) so that minimizes the electrostatic repulsion. And third, place the ligands, atoms or groups to form the chemical bonds to the central atom.

    The tool calculates the configuration in the second step, provided the number of electron pairs are given as input.

    I hope this helps to clarify your question. As you can see, the tool permits to calculate distributions up to 60 pairs. This does not mean that there might be atoms, or compounds with 60 ligands or chemical rests attached to it. It is just a mere extension of the model to another structures, not necessarily to those described by the VSEPS model, such as fullerenes, for instance.

    Regards, Baudilio

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