Making the InChI FAIR and sustainable while moving to inorganics.

The InChI (International Chemical Identifier) standard stands as a cornerstone in chemical informatics, facilitating the structure-based identification and exchange chemical information about compounds across various platforms and databases. The InChI as a unique canonical line notation has made chemical structures searchable on the internet at a broad scale. The largest repositories working with InChIs contain more than 1 billion structures.

Synthesis of nitrogen mustards on cobalt(III).

Bis(bidentate) and bis(tridentate) Co(III) complexes of -(2-hydroxyethyl)ethane-1,2-diamine (heen), 2-[(2-aminoethyl)amino]ethan-1-olate (heen-H), or -(2-chloroethyl)ethane-1,2-diamine (ceen) ligands have been synthesised, and a range of reaction conditions established for their syntheses by different routes. They can all be ultimately derived from (OC-6-12')-[Co(heen)(NO)]NO and provide access to the amine chloride nitrogen mustard complex, (OC-6-12')-[Co(ceen)(Cl)]Cl. Although complex isomeric mixtures were obtained from the reaction of (OC-6-12')-[Co(heen)(NO)]NO under different reaction conditions, ultimately, the amine chlorido configuration around the Co(III) metal centre of the (OC-6-12')-[Co(ceen)(Cl)]Cl complex was favoured.

1,1'-Biisoquinolines-Neglected Ligands in the Heterocyclic Diimine Family That Provoke Stereochemical Reflections.

1,1'-Biisoquinolines are a class of bidentate nitrogen donor ligands in the heterocyclic diimine family. This review briefly discusses their properties and the key synthetic pathways available and then concentrates upon their coordination behaviour. The ligands are of interest as they exhibit the phenomenon of atropisomerism (hindered rotation about the C1-C1' bond).

The past, present, and future in the nomenclature and structure representation of inorganic compounds.

This review examines the origins and development of the compositional nomenclature and additive nomenclature that have been at the heart of formal descriptions of inorganic compounds since the times of Lavoisier and Werner, respectively. The rising importance of structural diagrams is noted, explained and correlated with a decreasing use of formal nomenclature. The future of structure representation is discussed, particularly in relation to cheminformatics and big data.

Deliberate boxes and accidental wheels.

This report describes systems which combine the structural and reactive motifs of a dinucleating terpyridine-aminomethylpyridine ligand, L, with the coordination preferences and flexibilities of particular divalent metal ions to form a series of closely related box structures in a deliberate fashion. The ligand also produces unprecedented decanickel wheel complexes. Halogen to aromatic hydrogen interactions may be important in stabilising the decanickel wheel structures.

Heterodinuclear ruthenium(II)-cobalt(III) complexes as models for a new approach to selective cancer treatment.

Heterodinuclear ruthenium(II)-cobalt(III) complexes have been prepared as part of investigations into a new approach to selective cancer treatment. A cobalt(III) centre bearing amine ligands, which serve as models for cytotoxic nitrogen mustard ligands, is connected by a bridging ligand to a ruthenium(II)-polypyridyl moiety. Upon excitation of the ruthenium centre by visible light, electron transfer to the cobalt(III) centre results in reduction to cobalt(II) and consequent release of its ligands.

Cobalt(III) complexes as functional ligands for metal (oxide) surfaces.

Co(III) polyamine complexes with either two or three labile coordination sites bind strongly to high surface area metal oxides such as goethite or aluminium trihydroxide, and have been shown to act as passivating agents for aluminium flake in aqueous media, in addition to providing a potential method for surface functionalisation.

Buffer-regulated biocorrosion of pure magnesium.

Magnesium (Mg) alloys are being actively investigated as potential load-bearing orthopaedic implant materials due to their biodegradability in vivo. With Mg biomaterials at an early stage in their development, the screening of alloy compositions for their biodegradation rate, and hence biocompatibility, is reliant on cost-effective in vitro methods. The use of a buffer to control pH during in vitro biodegradation is recognised as critically important as this seeks to mimic pH control as it occurs naturally in vivo.

High diastereoselectivity in borohydride reductions of coordinated imines.

Borohydride reduction of the imine groups in a pyruvate-derived cobalt(III) complex, (OC-6-33')-[Co(Aim(2)trien)](2)[ZnCl(4)], occurs with high diastereoselectivity. The major diastereoisomeric product, (OC-6-33'-ARSSR,CSRRS)-[Co(A(2)trien)]Cl has been isolated and crystallographically characterised. The results from base-induced isomerisation of the major isomer allow us to conclude that most of the remaining material from the reduction reactions (consisting of minor diastereoisomers) differs from the major isomer only in the relative configuration of the coordinated amines.

Photoinduced ligand release in a ruthenium(II)-cobalt(III) heterodinuclear system.

Two Ru(II)-Co(III) heterodinuclear complexes have been synthesised as model complexes for photoactivated cytotoxins. Photoinduced ligand release has been demonstrated and the rate shown to depend on dioxygen concentration. Emission lifetimes and quantum yields are reported.

Coordination chemistry of a terpyridine-tris(pyrazolyl) ditopic ligand.

A new ditopic ligand, 4'-(4-(2,2,2-tris(1H-pyrazol-1-ido)ethoxymethyl)phenyl)-2,2':6',2''-terpyridine (pzt), has been prepared and its coordination chemistry studied. Metal ions with a preference for octahedral geometry form ML(2) complexes that are readily isolated and characterised, with the metal ion being bound to the terpyridine sites of both ligands. Other metal ions bind to the terpyridine site of just one ligand.

Preparation and photochemistry of cobalt(III) amino and amino acidato complexes containing tripodal polypyridine ligands.

The photochemical reactivities of cobalt(III)-diamine and cobalt(III)-amino acid compounds have been compared using complexes that also contain polypyridyl ligands. Metallacyclic complexes result from UV-induced photodecarboxylation reactions of the amino acid complexes. UV-irradiation of closely related complexes with amine donors replacing the carboxylate donors does not lead to the production of the same metallacyclic products.