Structural transformations in boron clusters induced by metal doping
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 …
revealed the surprising structural diversity of boron clusters. Although the 2D to 3D transition …
Four decades of the chemistry of planar hypercoordinate compounds
The idea of planar tetracoordinate carbon (ptC) was considered implausible for a hundred
years after 1874. Examples of ptC were then predicted computationally and realized …
years after 1874. Examples of ptC were then predicted computationally and realized …
Be2C Monolayer with Quasi‐Planar Hexacoordinate Carbons: A Global Minimum Structure
The design of new materials is an important subject in order to attain new properties and
applications, and it is of particular interest when some peculiar topological properties such …
applications, and it is of particular interest when some peculiar topological properties such …
Transition-Metal-Centered Monocyclic Boron Wheel Clusters (M©Bn): A New Class of Aromatic Borometallic Compounds
Atomic clusters have intermediate properties between that of individual atoms and bulk
solids, which provide fertile ground for the discovery of new molecules and novel chemical …
solids, which provide fertile ground for the discovery of new molecules and novel chemical …
The induced magnetic field
Aromaticity is indispensable for explaining a variety of chemical behaviors, including
reactivity, structural features, relative energetic stabilities, and spectroscopic properties …
reactivity, structural features, relative energetic stabilities, and spectroscopic properties …
Planar pentacoordinate carbons
V Vassilev-Galindo, S Pan, KJ Donald… - Nature Reviews …, 2018 - nature.com
Carbon centres in typical organic molecules have a coordination number that can reach a
maximum of four, in which case the bonded atoms are situated at the vertices of a …
maximum of four, in which case the bonded atoms are situated at the vertices of a …
Non-metal boron atoms on a CuB 12 monolayer as efficient catalytic sites for urea production
C Zhu, C Wen, M Wang, M Zhang, Y Geng, Z Su - Chemical Science, 2022 - pubs.rsc.org
An electrocatalytic C–N coupling reaction to convert CO2 and N2 into urea under mild
conditions has been proposed to be a promising alternative experimentally, but the …
conditions has been proposed to be a promising alternative experimentally, but the …
Observation of the Highest Coordination Number in Planar Species: Decacoordinated Ta©B10− and Nb©B10− Anions
Coordination number is one of the most fundamental characteristics of molecular structures.
Molecules with high coordination numbers often violate the octet and the 18 electron rules …
Molecules with high coordination numbers often violate the octet and the 18 electron rules …
Fluxional boron clusters: from theory to reality
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 …
recently been unfolding with the hand-in-hand advancement of state-of-the-art experimental …
SiC2 Silagraphene and Its One-Dimensional Derivatives: Where Planar Tetracoordinate Silicon Happens
The periodic systems containing planar tetracoordinate silicon (ptSi), SiC2 silagraphene,
nanotubes, and nanoribbons, were predicted by means of density functional theory (DFT) …
nanotubes, and nanoribbons, were predicted by means of density functional theory (DFT) …