In this study electrophilic affinities were calculated at all reactive positions of azulene in electrophilic aromatic substitutions. Structures of cationic intermediates and products were optimized at HF/6-31+G* and B3LYP/6-31+G** levels of theory, and single point calculations were carried out at MP2/6-31+G**//B3LYP/6-31+G** for total energy. NICS calculations, activation energies and relative...

In this study, we aimed to enhance the catalytic activity of perovskite catalysts and elucidate their behavior in oxidative coupling methane (OCM), using alkali-added LaAlO3 catalysts. We prepared LaAlO3_XY (X = Li, Na, K, Y mol %) applied them OCM reaction. The results showed that catalysts’ activities were promoted compared catalyst. reaction, ethane was first synthesized through dimerization...

Reactions of gaseous SF(3)(+) ions with furan, thiophene, pyrrole, and several of their alkyl derivatives were performed via MS(2) experiments and found to occur readily both by electron abstraction and F(+) transfer. Then, by performing MS(3) experiments, the F(+) transfer products-the protonated monofluorinated molecules-were mass-selected and deprotonated by a second reaction with a stronger...

A suitable oxidative system is crucial to electrophilic selenium catalysis (ESC). This short review offers the overview of recent development in ESC with electrophilic N-F reagents as the oxidants. Several highly selective transformations of alkenes such as allylic or vinylic imidation, pyridination, syn-dichlorination, oxidative cyclization and asymmetric cyclization have been described.

An efficient synthesis of 2-heteroarylazulene derivatives was established via electrophilic substitution. The reaction of 6-dimethylamino-1,3-di(methylthio)azulene (1a) with the triflate of N-containing heteroarenes proceeded in the presence of excess heteroarenes to afford the corresponding 2-dihydroheteroarylazulene derivatives 3−7. The 2-dihydroheteroarylazulene derivatives were readily conv...

The nitrogen bond in chemical systems occurs when there is evidence of a net attractive interaction between the electrophilic region associated with covalently or coordinately bound atom molecular entity and nucleophile another, same entity. It first member family pnictogen bonds formed by family, Group 15, periodic table, an inter- intra-molecular non-covalent interaction. In this featured rev...

Abstract δ‐Valerolactone derivatives are formed by the cerium‐catalyzed, aerobic coupling of β‐oxoesters with enol acetates and dioxygen. The products possess a 1,4‐diketone moiety, thus, conversion can be regarded as an Umpolung since oxidized to electrophilic α‐radicals. transformation has similarities Baeyer‐Villiger oxidation (BVO) where higher substituted residue migrates. An endoperoxidic...