Quantum-chemical insights into mixed-valence systems: within and beyond the Robin–Day scheme
In mixed-valence (MV) systems essentially identical, more or less electronically coupled,
redox centres are brought into formally different oxidation states by removal or addition of an …
redox centres are brought into formally different oxidation states by removal or addition of an …
Twists and turns: Studies of the complexes and properties of bimetallic complexes featuring phenylene ethynylene and related bridging ligands
PJ Low - Coordination Chemistry Reviews, 2013 - Elsevier
The concept of a molecular-based electronic technology has been evolving for over 50
years, and the development of molecular designs for such components over this period has …
years, and the development of molecular designs for such components over this period has …
Half-Wave Potential Splittings ΔE1/2 as a Measure of Electronic Coupling in Mixed-Valent Systems: Triumphs and Defeats
RF Winter - Organometallics, 2014 - ACS Publications
This review is a cautionary note against the often purported direct relation between the half-
wave potential splitting Δ E 1/2 (or Δ E°) for stepwise, consecutive electron transfer from …
wave potential splitting Δ E 1/2 (or Δ E°) for stepwise, consecutive electron transfer from …
Electronic coupling in cyclometalated ruthenium complexes
YW Zhong, ZL Gong, JY Shao, J Yao - Coordination Chemistry Reviews, 2016 - Elsevier
This review summarizes the electronic coupling studies in mixed-valence or donor–acceptor-
type complexes containing one or two cyclometalated ruthenium redox sites. Basic electron …
type complexes containing one or two cyclometalated ruthenium redox sites. Basic electron …
Improving vibrational mode interpretation using bayesian regression
F Teixeira, MNDS Cordeiro - Journal of Chemical Theory and …, 2018 - ACS Publications
To streamline the interpretation of vibrational spectra, this work introduces the use of
Bayesian linear regression with automatic relevance determination as a viable approach to …
Bayesian linear regression with automatic relevance determination as a viable approach to …
A review of oligo (arylene ethynylene) derivatives in molecular junctions
LJ O'Driscoll, MR Bryce - Nanoscale, 2021 - pubs.rsc.org
Oligo (arylene ethynylene)(OAE) derivatives are the “workhorse” molecules of molecular
electronics. Their ease of synthesis and flexibility of functionalisation mean that a diverse …
electronics. Their ease of synthesis and flexibility of functionalisation mean that a diverse …
Redox‐Active Ligand‐Induced Homolytic Bond Activation
DLJ Broere, LL Metz, B De Bruin… - Angewandte Chemie …, 2015 - Wiley Online Library
Coordination of the novel redox‐active phosphine‐appended aminophenol pincer ligand
(PNOH2) to PdII generates a paramagnetic complex with a persistent ligand‐centered …
(PNOH2) to PdII generates a paramagnetic complex with a persistent ligand‐centered …
Ruthenium Stilbenyl and Diruthenium Distyrylethene Complexes: Aspects of Electron Delocalization and Electrocatalyzed Isomerization of the Z-Isomer
M Linseis, S Zalis, M Zabel… - Journal of the American …, 2012 - ACS Publications
Regio-and stereoselective insertion of the terminal ethynyl functions of 4-ethynylstilbene, the
E and Z isomers of 4, 4′-bis (ethynylphenyl) ethene and a backbone-rigidified cyclohexenyl …
E and Z isomers of 4, 4′-bis (ethynylphenyl) ethene and a backbone-rigidified cyclohexenyl …
Mixed‐Valence Ruthenium Complexes Rotating through a Conformational Robin–Day Continuum
The conformational energy landscape and the associated electronic structure and
spectroscopic properties (UV/Vis/near‐infrared (NIR) and IR) of three formally d5/d6 mixed …
spectroscopic properties (UV/Vis/near‐infrared (NIR) and IR) of three formally d5/d6 mixed …
The Electron Transfer Process in Mixed Valence Compounds with a Low‐lying Energy Bridge in Different Oxidation States
YY Yang, XQ Zhu, JP Launay, CB Hong… - Angewandte …, 2021 - Wiley Online Library
Mixed‐valence compounds with the iso‐cyanidometal‐ligand bridge in different oxidation
states are used as models for the investigation of the electron‐transfer process. We …
states are used as models for the investigation of the electron‐transfer process. We …