For some porphyrinoids, such as orangarin and amethyrin, the main route of macrocyclic pi-circulation is different from the main macrocyclic conjugation pathway predicted by porphyrin chemists. Our analytical theory of ring-current diamagnetism allows us to predict the main macrocyclic conjugation pathway from the ring current distribution. We can now interpret macrocyclic aromaticity and macro...

The magnetic response of valence electrons in doped gold-based M@Au8L8q superatoms (M = Pd, Pt, Ag, Au, Cd, Hg, Ir, and Rh; L PPh3; q 0, +1, +2) is studied by calculating the gauge including magnetically induced currents (GIMIC) framework auxiliary density functional theory. systems include 24 different combinations dopant, total cluster charge, structure (cubic-like or oblate). (both diatropic...

Application of aromaticity indices to geometries of rings of eleven derivatives of fulvene, two salts of cyclopentadienyl, and nine derivatives of heptafulvene gives a coherent view in line with expectation due to the (4n + 2) rule: electron-donating substituents attached to exocyclic carbon atom in fulvenes and electron-accepting substituents attached to heptafulvenes increase significantly th...

A novel strategy for the synthesis of multisubstituted naphthalenes was developed via a Au(i)-catalyzed alkyne alkoxylation/dienolether aromaticity-driven cascade cyclization using 1,5-enyne substrates. The functional group toleration was examined by synthesizing a series of substrates and the mechanism was also studied based on intermediates isolated through deuterium labeling experiments.

Sterically congested tetraarylpyrenes exhibited emission in both solution and the solid state. The monocationic species of pyrene 1 could be isolated because of the reasonably protected system. The aromaticity of 1 relocates from the biphenyl part to the naphthalene unit upon two-electron oxidation.

Two different interpretations have been recently proposed to rationalize the stabilization of some hosting cages in endohedral metallofullerenes as a consequence of the larger localization of the negative charge on pentagonal rather than on hexagonal faces. We try to figure out the physical origin that mainly governs the stability of charged fullerenes; is it aromaticity or electrostatics?

The 18pi-sigma3- and 22pi-sigma4-phosphaporphyrins were successfully prepared by an acid-promoted condensation between a phosphatripyrrane and a 2,5-bis[hydroxy(phenyl)methyl]pyrrole, and their structures, aromaticity, and optical and electrochemical properties were disclosed. Notably, a sigma4-phosphaporphyrinogen and the 18pi-sigma3-phosphaporphyrin undergo oxidative pi-extension at the perip...