Do diradicals behave like radicals?
This review sets out to understand the reactivity of diradicals and how that may differ from
monoradicals. In the first part of the review, we delineate the electronic structure of a …
monoradicals. In the first part of the review, we delineate the electronic structure of a …
A review of functional linear carbon chains (oligoynes, polyynes, cumulenes) and their applications as molecular wires in molecular electronics and optoelectronics
MR Bryce - Journal of Materials Chemistry C, 2021 - pubs.rsc.org
Linear, sp-hybridised, 1-dimensional (1D) all-carbon wires are conceptually the simplest π-
conjugated organic molecules. Their fundamental experimental and theoretical properties …
conjugated organic molecules. Their fundamental experimental and theoretical properties …
Highly conducting single-molecule topological insulators based on mono-and di-radical cations
Single-molecule topological insulators are promising candidates as conducting wires over
nanometre length scales. A key advantage is their ability to exhibit quasi-metallic transport …
nanometre length scales. A key advantage is their ability to exhibit quasi-metallic transport …
Identification of Unknown Inverted Singlet–Triplet Cores by High-Throughput Virtual Screening
Molecules where the energy of the lowest excited singlet state is found below the energy of
the lowest triplet state (inverted singlet–triplet molecules) are extremely rare. It is particularly …
the lowest triplet state (inverted singlet–triplet molecules) are extremely rare. It is particularly …
Synthesis, properties, and applications of carbyne nanocrystals
G Yang - Materials Science and Engineering: R: Reports, 2022 - Elsevier
Since the first observation of fullerene nearly three decades ago, allotropes of carbon,
including carbon nanotube and graphene, have been the focus of considerable research …
including carbon nanotube and graphene, have been the focus of considerable research …
Cumulene wires display increasing conductance with increasing length
One-dimensional sp-hybridized carbon wires, including cumulenes and polyynes, can be
regarded as finite versions of carbynes. They are likely to be good candidates for molecular …
regarded as finite versions of carbynes. They are likely to be good candidates for molecular …
Radical Single-Molecule Junctions
Radicals are unique molecular systems for applications in electronic devices due to their
open-shell electronic structures. Radicals can function as good electrical conductors and …
open-shell electronic structures. Radicals can function as good electrical conductors and …
Circular polarization of luminescence as a tool to study molecular dynamical processes
SCJ Meskers - ChemPhotoChem, 2022 - Wiley Online Library
Circular polarization of luminescence is a phenomenon that can be observed for chiral
molecules in isotropic solution, for molecular aggregates and molecular materials. Also, the …
molecules in isotropic solution, for molecular aggregates and molecular materials. Also, the …
A Peierls transition in long polymethine molecular wires: evolution of molecular geometry and single-molecule conductance
Molecules capable of mediating charge transport over several nanometers with minimal
decay in conductance have fundamental and technological implications. Polymethine …
decay in conductance have fundamental and technological implications. Polymethine …
Conductance growth of single-cluster junctions with increasing sizes
Quantum-tunneling-based nanoelectronics has the potential for the miniaturization of
electronics toward the sub-5 nm scale. However, the nature of phase-coherent quantum …
electronics toward the sub-5 nm scale. However, the nature of phase-coherent quantum …