Structural transformations in boron clusters induced by metal doping

J Barroso, S Pan, G Merino - Chemical Society Reviews, 2022 - pubs.rsc.org
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 …

Fluxional boron clusters: from theory to reality

S Pan, J Barroso, S Jalife, T Heine… - Accounts of chemical …, 2019 - ACS Publications
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 of size-selected boron clusters: from planar structures to borophenes and borospherenes

LS Wang - International Reviews in Physical Chemistry, 2016 - Taylor & Francis
Photoelectron spectroscopy (PES) in combination with computational chemistry has been
used systematically over the past decade to elucidate the structures and chemical bonding …

The B35 Cluster with a Double-Hexagonal Vacancy: A New and More Flexible Structural Motif for Borophene

WL Li, Q Chen, WJ Tian, H Bai, YF Zhao… - Journal of the …, 2014 - ACS Publications
Elemental boron is electron-deficient and cannot form graphene-like structures. Instead,
triangular boron lattices with hexagonal vacancies have been predicted to be stable. A …

Beyond organic chemistry: aromaticity in atomic clusters

AI Boldyrev, LS Wang - Physical Chemistry Chemical Physics, 2016 - pubs.rsc.org
We describe joint experimental and theoretical studies carried out collaboratively in the
authors' labs for understanding the structures and chemical bonding of novel atomic …

Coaxial Triple‐Layered versus Helical Be6B11 Clusters: Dual Structural Fluxionality and Multifold Aromaticity

JC Guo, LY Feng, YJ Wang, S Jalife… - Angewandte Chemie …, 2017 - Wiley Online Library
Two low‐lying structures are unveiled for the Be6B11− nanocluster system that are virtually
isoenergetic. The first, triple‐layered cluster has a peripheral B11 ring as central layer, being …

Li2B12 and Li3B12: Prediction of the Smallest Tubular and Cage‐like Boron Structures

X Dong, S Jalife, A Vásquez‐Espinal… - Angewandte Chemie …, 2018 - Wiley Online Library
An intriguing structural transition from the quasi‐planar form of B12 cluster upon the
interaction with lithium atoms is reported. High‐level computations show that the lowest …

Exhaustive exploration of MgB n (n= 10–20) clusters and their anions

Y Tian, D Wei, Y Jin, J Barroso, C Lu… - Physical Chemistry …, 2019 - pubs.rsc.org
To understand the effect of magnesium atom doping on boron clusters, here we report the
lowest-lying energy structures and electronic properties of neutral and monoanionic …

Structural and Electronic Properties of Medium-Sized Aluminum-Doped Boron Clusters AlBn and Their Anions

S Jin, B Chen, X Kuang, C Lu, W Sun… - The Journal of …, 2019 - ACS Publications
Binary boron-based compounds are expected to possess unique molecular architecture and
chemical bonding. Here, we explore how incorporation of a valence isoelectronic Al atom …

Observation of a metal-centered B 2-Ta@ B 18− tubular molecular rotor and a perfect Ta@ B 20− boron drum with the record coordination number of twenty

WL Li, T Jian, X Chen, HR Li, TT Chen… - Chemical …, 2017 - pubs.rsc.org
Observation of a metal-centered B 2 -Ta@B 18 − tubular molecular rotor and a perfect Ta@B 20
− boron drum with the record coordination number of twent ... - Chemical Communications (RSC …