Metallaaromatics can be broadly defined as aromatic compounds in which one of the ring
atoms is a transition metal. The metallabenzenes are one important class of these …

Abstract The first 1, 4‐distibabenzene‐1, 4‐diide compound [(ADC) Sb] 2 (5) based on an
anionic dicarbene (ADC)(ADC= PhC {N (Dipp) C} 2, Dipp= 2, 6‐iPr2C6H3) is reported as a …

Through computational analysis we found that pentazine and hexazine, two hypothetical
high-energy density materials, exhibit inherent instability due to quantum tunneling effects …

In this study, we synthesized some propiolate esters derivatives via Steglich
esterificationand investigated utilized experimental and theoretical calculations. The …

Due to their toxic effects and the occurrence of triclosan and triclocarban (pharmaceutical
and personal care products) in the water sources, there is an unmet need to remove them …

Diphosphinines that are fused to two thiourea units were synthesized from the
corresponding tricyclic 1, 4‐dichloro‐1, 4‐dihydro‐1, 4‐diphosphinines, and their structures …

Tautomerization of 2-(2-hydroxyphenyl)-1-azaazulene (2OHPhAZ) in the gas phase and
ethanol has been studied using B3LYP, M06-2X, and ωB97XD density functional theory …

The experimental and theoretical chemistry of 1, 2, 3, 4-tetrazines have been actively
studied in the last 20 years. The increasing interest in this class of compounds is due to the …

Abstract Die erste 1, 4‐Distabenzol‐1, 4‐diid‐Verbindung [(ADC) Sb] 2 (5) auf der Basis
eines anionischen Dicarbens (ADC)(ADC= PhC {N (Dipp) C} 2, Dipp= 2, 6‐iPr2C6H3) wird …

Positional effect of NH 2 group on the properties of aminobenzenesulphonic acid (AMBSA)
has been investigated. Potential energy scan (PES) calculation revealed the energy …