Colette Boskovic

A Convenient DFT-Based Strategy for Predicting Transition Temperatures of Valence Tautomeric Molecular Switches.

Jett T Janetzki, F Zahra M Zahir, Robert W Gable, Wasinee Phonsri, Keith S Murray, Lars Goerigk, Colette Boskovic

Journal article  |  2021  |  Inorg Chem

The ability to identify promising candidate switchable molecules computationally, prior to synthesis, represents a considerable ad..

Switching metal complexes via intramolecular electron transfer: connections with solvatochromism

Vincent L Nadurata, Colette Boskovic

Journal article  |  2021  |  INORGANIC CHEMISTRY FRONTIERS

Metal complexes that can exist in two different charge distributions often exhibit dramatic color changes when switched between th..

Lanthanoid Complexes as Molecular Materials: The Redox Approach

Moya A Hay, Colette Boskovic

Journal article  |  2021  |  CHEMISTRY-A EUROPEAN JOURNAL

The development of molecular materials with novel functionality offers promise for technological innovation. Switchable molecules ..

Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes

Gemma K Gransbury, Brooke N Livesay, Jett T Janetzki, Moya A Hay, Robert W Gable, Matthew P Shores, Alyona Starikova, Colette Boskovic

Journal article  |  2020  |  JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Valence tautomerism (VT) involves a reversible stimulated intramolecular electron transfer between a redox-active ligand and redox..

Tetrahalocatecholate Rare Earth Complexes: Dinuclear Motifs with Intramolecular RE center dot center dot center dot XC(Ar) Interactions

Elodie Rousset, Robert W Gable, Alyona Starikova, Colette Boskovic

Journal article  |  2020  |  CRYSTAL GROWTH & DESIGN

The reaction of yttrium or cerium nitrate and tetrachloro- or tetrabromocatecholate (X4Cat2- with X = Cl or Br) has afforded the c..

Incorporation of Vanadium and Molybdenum into Yttrium-Arsenotungstates Supported by Amino Acid Ligands

Fateme Akhlaghi Bagherjeri, Chris Ritchie, Robert W Gable, Gary Bryant, Colette Boskovic

Journal article  |  2020  |  AUSTRALIAN JOURNAL OF CHEMISTRY

The preference for incorporation of molybdenum over tungsten into specific sites of a family of yttrium-arsenotungstates with amin..

Tetraoxolene-bridged rare-earth complexes: a radical-bridged dinuclear Dy single-molecule magnet

William R Reed, Maja A Dunstan, Robert W Gable, Wasinee Phonsri, Keith S Murray, Richard A Mole, Colette Boskovic

Journal article  |  2019  |  DALTON TRANSACTIONS

Two families of neutral tetraoxolene-bridged dinuclear rare earth complexes of general formula [((HBpz3)2RE)2(μ-tetraoxolene)] (RE..

Single-ion anisotropy and exchange coupling in cobalt(ii)-radical complexes: insights from magnetic and ab initio studies

Gemma K Gransbury, Marie-Emmanuelle Boulon, Richard A Mole, Robert W Gable, Boujemaa Moubaraki, Keith S Murray, Lorenzo Sorace, Alessandro Soncini, Colette Boskovic

Journal article  |  2019  |  CHEMICAL SCIENCE

The concurrent effects of single-ion anisotropy and exchange interactions on the electronic structure and magnetization dynamics h..

Valence tautomerism and spin crossover in pyridinophane-cobalt-dioxolene complexes: an experimental and computational study

Tina Tezgerevska, Elodie Rousset, Robert W Gable, Guy NL Jameson, E Carolina Sanudo, Alyona Starikova, Colette Boskovic

Journal article  |  2019  |  DALTON TRANSACTIONS

Compounds [Co(L-N4R2)(dbdiox)](BPh4) (L-N4R2 = N,N'-di-alkyl-2,11-diaza[3.3]-(2,6)pyridinophane, R = iPr (1a), Et (2a); dbdiox = 3..

DFT Prediction and Experimental Investigation of Valence Tautomerism in Cobalt-Dioxolene Complexes

Gemma K Gransbury, Marie-Emmanuelle Boulon, Simon Petrie, Robert W Gable, Roger J Mulder, Lorenzo Sorace, Robert Stranger, Colette Boskovic

Journal article  |  2019  |  INORGANIC CHEMISTRY

The family of complexes of general formula [Co(Me ntpa)(Xdiox)]+ (tpa = tris(2-pyridylmethyl)amine, n = 0-3 corresponds to success..