Schiff bases are an important class of compounds for a variety of purposes, including complex formation with transition metals. These complexes serve a range of purposes. As one example, Ru complexes featuring a Schiff base ligand have been explored as potential inhibitors of microtubule formation. As part of a more systematic study of the impact of sterics and electronics in these ligand systems, a set of Schiff base ligands, based on trimethoxyaniline and aromatic aldehyde starting materials, are proposed and evaluated using Spartan. Overall trends in the sterics and electronics of proposed candidates will be presented.

Computational analysis of potential Schiff base ligands

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