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Amines are among the most fundamental motifs in chemical synthesis, and the introduction of amine building blocks via selective C—C bond cleavage allows the construction of nitrogen compounds from simple hydrocarbons through direct skeleton modification. Herein, we report a novel method for the preparation of anilines from alkylarenes via Schmidt‐type rearrangement using redox‐active amination reagents,...
The stability, infrared spectra and electronic structures of (ZrO2)n (n=3–6) clusters have been investigated by using density‐functional theory (DFT) at B3LYP/6‐31G* level. The lowest‐energy structures have been recognized by considering a number of structural isomers for each cluster size. It is found that the lowest‐energy (ZrO2)5 cluster is the most stable among the (ZrO2)n (n=3–6) clusters. The...
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