Mechanochemistry has experienced a renaissance in recent years witnessing, at the
molecular level, a remarkable interplay between theory and experiment. Molecular …

We have calculated the current density induced by an external magnetic field in a set of
figure-eight-shaped expanded porphyrinoids. The studied octaphyrins can be divided into …

Unlocking the potential of weak interactions to govern the electronic structure of organic
molecules remains a significant challenge. This study constructs a quantitative relationship …

Over the years, several studies have aimed to elucidate why certain molecules show more
enhanced nonlinear optical (NLO) properties than others. This knowledge is particularly …

Spectroscopic properties are commonly used in the experimental evaluation of ground‐and
excited‐state aromaticity in expanded porphyrins. Herein, we investigate if the defining …

The development of novel synthetic methods has greatly expanded the toolbox available to
chemists for engineering porphyrin and phthalocyanine derivatives with precise electronic …

Quantum interference (QI) effects offer unique opportunities to modulate charge transport
through single molecules. In recent years, several transmission selection rules have been …

Aromaticity is a fundamental concept in chemistry that explains the stability and reactivity of
many compounds by identifying atoms within a molecule that form an aromatic ring. Reliable …

Tetraquinolines (TEQs) have been recently synthesized and proposed to be a new member
of the porphyrinoid family with highly distorted, nonplanar, geometries. In this contribution by …

Molecular switches, in which a stimulus induces a large and reversible change in molecular
properties, are of significant interest in the domain of photonics. Due to their commutable …