Nowadays, an active research topic is the connection between Clar's rule, aromaticity, and
magnetic properties of polycyclic benzenoid hydrocarbons. In the present work, we employ a …

The aromaticity of benzene, Al42− cluster, cyclopropane, borazine and planar
cyclooctatetraene (COT) was analyzed according to different strategies based on nucleus …

Much experimental work has been contributed to all-metal σ, π and δ-aromaticity among
transition metals, semimetallics and other metals in the past two decades. Before our …

The magnetic aromaticity of 6‐membered monoheterocycles containing Group 13 to 16
elements (C5H5X, where X= SiH, GeH, N, P, As, O+, S+, Se+) was assessed by using 2 …

Inspired by the double-aromatic (σ and π) C6H3+, C6I62+, and C6 (SePh) 62+ ring-shaped
compounds, herein we theoretically study their borazine derivative analogues. The systems …

1, 3-Dipolar cycloaddition reaction is a powerful synthetic reaction for the generation of
heterocycles in organic chemistry. However, similar reactions in organometallic chemistry …

The minimum energy structures of the Si3C5 and Si4C8 clusters are planar and contain
planar tetracoordinate carbons (ptCs). These species have been classified, qualitatively, as …

Relativistic effects are usually taken into account in heavy-element-containing species,
bringing to the scientific community stimulating cases of study. Scalar and spin–orbit effects …

In this study we report about the relativistic effects on the aromaticity of the six
hexahalogenated compounds (C6H6, C6F6, C6Cl6, C6Br6, C6I6 and C6At6), via a …

Herein we report the systematic exploration of the potential energy surfaces of a series of
clusters with formula E5M7+ (E= C‐Pb and M= Li‐Cs). Fifteen of these combinations adopt a …