Probing the structures and bonding of size-selected boron and doped-boron clusters

T Jian, X Chen, SD Li, AI Boldyrev, J Li… - Chemical Society …, 2019 - pubs.rsc.org
Because of their interesting structures and bonding and potentials as motifs for new
nanomaterials, size-selected boron clusters have received tremendous interest in recent …

All-boron aromatic clusters as potential new inorganic ligands and building blocks in chemistry

AN Alexandrova, AI Boldyrev, HJ Zhai… - Coordination Chemistry …, 2006 - Elsevier
Small boron clusters as individual species in the gas phase are reviewed. While the family of
known boron compounds is rich and diverse, a large body of hitherto unknown chemistry of …

Hydrocarbon analogues of boron clusters—planarity, aromaticity and antiaromaticity

HJ Zhai, B Kiran, J Li, LS Wang - Nature materials, 2003 - nature.com
An interesting feature of elemental boron and boron compounds is the occurrence of highly
symmetric icosahedral clusters. The rich chemistry of boron is also dominated by three …

Systematic ab initio investigation of bare boron clusters:mDetermination of the geometryand electronic structures of (n=2–14)

I Boustani - Physical Review B, 1997 - APS
Based on ab initio quantum-chemical methods, accurate calculations on small boron
clusters B n (n= 2–14) were carried out to determine their electronic and geometric …

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 …

All-boron analogues of aromatic hydrocarbons: B17− and B18−

AP Sergeeva, BB Averkiev, HJ Zhai… - The Journal of …, 2011 - pubs.aip.org
We have investigated the structural and electronic properties of the B 17− and B 18− clusters
using photoelectron spectroscopy (PES) and ab initio calculations. The adiabatic electron …

New quasi-planar surfaces of bare boron

I Boustani - Surface science, 1997 - Elsevier
New very stable quasi-planar clusters of bare boron are found by systematic ab initio density
functional and quantum chemical methods. They are composed of dove-tailed hexagonal …

A Photoelectron Spectroscopic and Theoretical Study of B16 and B162−: An All-Boron Naphthalene

AP Sergeeva, DY Zubarev, HJ Zhai… - Journal of the …, 2008 - ACS Publications
The structure and chemical bonding of B16− were studied using ab initio calculations and
photoelectron spectroscopy. Its global minimum is found to be a quasi-planar and elongated …

B22 and B23: All-Boron Analogues of Anthracene and Phenanthrene

AP Sergeeva, ZA Piazza, C Romanescu… - Journal of the …, 2012 - ACS Publications
Clusters of boron atoms exhibit intriguing size-dependent structures and chemical bonding
that are different from bulk boron and may lead to new boron-based nanostructures. We …

Comprehensive analysis of chemical bonding in boron clusters

DY Zubarev, AI Boldyrev - Journal of computational chemistry, 2007 - Wiley Online Library
We present a comprehensive analysis of chemical bonding in pure boron clusters. It is now
established in joint experimental and theoretical studies that pure boron clusters are planar …