Metalloporphyrins (MP) and metallophtalocyanines (MPc) are innovative materials with catalytic properties that have attracted attention for their application for diverse electrochemical purposes. The presence of metallic centers in their structure offers a redox-active behavior that is being applied in the design of solid electrodes for the quantification of biomolecules, water contaminants, and pharmaceuticals, among others. Herein, we collect the recent information about porphyrin and phthalocyanine complexes as modifiers of electrodes, and the important aspects of the design, characterization, and application of these electrodes.

We have calculated global and local DFT reactivity descriptors for isoproturon, diuron, linuron, and chlorotoluron herbicides at the MP2/6‐311++G(2d,2p) level of theory. The results suggest that, in aqueous conditions, chlorotoluron, linuron, and diuron herbicides may be degraded by elimination of urea moiety through electrophilic attacks. On the other hand, electrophilic, nucleophilic, and free radical attacks on isoproturon may cause the elimination of isopropyl fragment.

In the present work we have calculated several DFT reactivity descriptors for quinclorac at the B3LYP/6- 311++G(2d,2p) and MP2/6-311++G(2d,2p) levels of theory in order to analyze its reactivity. Reactivity descriptors such as ionization energy, molecular hardness, electrophilicity, condensed Fukui function and total energies were determined to predict the reactivity of quinclorac. The influence of the solvent was taken into account employing the PCM model. The results indicate that the solvation modifies the values of quinclorac reactivity descriptors. The Fukui function values predict that an electrophilic attack on quinclorac might cause a dechlorination, while a nucleophilic attack might lead to a decarboxylation and a free radical attack would cause a hydrogen substitution on the quinoline ring. Quinclorac in deprotonated form would be susceptible to decarboxylation through an electrophilic attack while nucleophilic and free radical attacks would cause an attack on the hydrogens of the ring.