Wednesday, 7 February 2024

BESSY II: Molecular orbitals determine stability

Carboxylic acid dianions (fumarate, maleate and succinate) play a role in coordination chemistry and to some extent also in the biochemistry of body cells. A team has now analyzed their electronic structures using RIXS in combination with DFT simulations. The results provide information not only on electronic structures but also on the relative stability of these molecules which can influence an industry's choice of carboxylate dianions, optimizing both the stability and geometry of coordination polymers.
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