Do diradicals behave like radicals?

T Stuyver, B Chen, T Zeng, P Geerlings… - Chemical …, 2019 - ACS Publications
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 …

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 …

Highly conducting single-molecule topological insulators based on mono-and di-radical cations

L Li, JZ Low, J Wilhelm, G Liao, S Gunasekaran… - Nature Chemistry, 2022 - nature.com
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 …

Identification of Unknown Inverted Singlet–Triplet Cores by High-Throughput Virtual Screening

OH Omar, X **e, A Troisi, D Padula - Journal of the American …, 2023 - ACS Publications
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 …

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 …

Cumulene wires display increasing conductance with increasing length

Y Zang, T Fu, Q Zou, F Ng, H Li, ML Steigerwald… - Nano Letters, 2020 - ACS Publications
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 …

Radical Single-Molecule Junctions

L Li, CR Prindle, W Shi, C Nuckolls… - Journal of the …, 2023 - ACS Publications
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 …

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 …

A Peierls transition in long polymethine molecular wires: evolution of molecular geometry and single-molecule conductance

W Xu, E Leary, S Sangtarash, M Jirasek… - Journal of the …, 2021 - ACS Publications
Molecules capable of mediating charge transport over several nanometers with minimal
decay in conductance have fundamental and technological implications. Polymethine …

Conductance growth of single-cluster junctions with increasing sizes

A Feng, S Hou, J Yan, Q Wu, Y Tang… - Journal of the …, 2022 - ACS Publications
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 …