The discovery of carbon fullerene cages and their solids opened a new avenue to build
materials from stable cage clusters as “artificial atoms” or “superatoms” instead of atoms …

In the last decades, experimental techniques in conjunction with theoretical analyses have
revealed the surprising structural diversity of boron clusters. Although the 2D to 3D transition …

Conspectus Isolated boron clusters exhibit many intriguing properties, which have only
recently been unfolding with the hand-in-hand advancement of state-of-the-art experimental …

Photoelectron spectroscopy combined with quantum chemistry has been a powerful
approach to elucidate the structures and bonding of size-selected boron clusters (B n−) …

Chemical clusters are relevant to many applications in catalysis, separations, materials, and
energy sciences. Experimentally, the structure of clusters is difficult to determine, but it is …

Planar hypercoordinate compounds are fascinating but challenging to be realized. The
difficulty in stabilizing and fabricating such compounds prevent us from in‐deep …

We report a σ+ π double aromatic CB5S5+ cluster, the first global minimum unusually
having a planar hypercoordinate carbon inside a boron wheel. Five peripheral sulfur atoms …

The concept of metalla-aromaticity proposed by Thorn–Hoffmann (Nouv. J. Chim. 1979, 3,
39) has been expanded to organometallic molecules of transition metals that have more …

Copper has been found to be able to mediate the formation of bilayer borophenes. Copper–
boron binary clusters are ideal model systems to probe the copper–boron interactions …

A theoretical study of geometrical structures, electronic properties, and spectral properties of
single-atom transition metal-doped boron clusters MB24−(M= Sc, Ti, V, Cr, Mn, Fe, Co, and …