Inorganics, Volume 7, Issue 4

The catalytic cycle of the oxygen-evolving complex (OEC) of photosystem II (PSII) comprises five intermediate states S_i (i = 0–4), from the most reduced S₀ state to the most oxidized S₄, which spontaneously evolves dioxygen. The precise geometr...

Wilson disease is an inherited disorder caused by mutations in the ATP7B gene resulting in copper metabolism disturbances. As a consequence, copper accumulates in different organs with most common presentation in liver and brain. Chelating agents tha...

The pyridine-2,6-carboxylic esters pydicR₂ with R = Me or Ph form the unprecedented mononuclear Cu^II complexes [Cu(pydicR₂)Cl₃]⁻ in one-pot reactions starting from pyridine-2,6-carboxychloride pydicCl₂, Cu^II chloride, and NEt₃ in MeOH or PhOH s...

Density Functional Theory and Complete Active Space Self-Consistent Field (CASSCF) methodologies are used to explore the electronic structure of the cationic V–N clusters, [V₄N₄]⁺ and [V₆N₆]⁺, that have been identified in recent mass spectromet...

The lowest-energy isomer of C ${}_2$ Si ${}_2$ H ${}_4$ is determined by high-accuracy ab initio calculations to be the bridged four-membered ring 1,2-didehydro-1,3-disilabicyclo[1.1.0]butane (1), contrary to prior theoretical and experimental...

The electrochemical reduction of the complex [Fe₂(CO)₆{µ-(SCH₂)₂GeMe₂}] (1) under N₂ and CO is reported applying cyclic voltammetry. Reduction of complex 1 in CO saturated solutions prevents the possible release of CO from the dianion 1²⁻...

The pyrochlore structure (A₂B₂O₇) has been an object of consistent study by materials scientists largely due to the stability of the cubic lattice with respect to a wide variety of chemical species on the A or B sites. The criterion for stability und...

Polyiodide chemistry is among the first historically reported examples of supramolecular forces at work. To date, owing to the increasingly recognized role of halogen bonding and the incorporation of iodine-based components in several devices, it rem...

The intrinsic bonding nature of ${\lambda }^3$ -iodanes was investigated to determine where its hypervalent bonds fit along the spectrum between halogen bonding and covalent bonding. Density functional theory with an augmented Dunning valence trip...

Bimetallic structures of the general type [M₂(µ-S)₂] are omnipresent in nature, for biological function [M₂(µ-S)₂] sites interconvert between electronically distinct, but isostructural, forms. Different from structure-function relationshi...

Three different 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetamide (DOTAM) derivatives bearing as amide N-substituents phenyl, p-methoxyphenyl and p-ethylbenzoate groups were synthesized and the ¹H and ¹⁷O NMR relaxometric behaviour of the Gd(III...

Two zinc(II) hexaborate(2−) complexes, [Zn{κ³O-B₆O₇(OH)₆}(κ³N-dien)]·0.5H₂O (dien = NH(CH₂CH₂NH₂)₂) (1) and (NH₄)₂[Zn{κ²O-B₆O₇(OH)₆}₂(H₂O)₂]·2H₂O (2), and a zinc(II) dodecaborate(6−) complex, (1,3-pnH₂)₃[(&...

The reaction of Bi, BiCl₃, and TlCl in the ionic liquid [BMIm]Cl·4AlCl₃ (BMIm = 1-n-butyl-3-methylimidazolium) at 180 °C yielded air-sensitive black crystals of (Bi₈)Tl[AlCl₄]₃. X-ray diffraction on single crystals at room temperature reve...

9-Dimethyloxonium, 10-dimethyloxonium, 9-methoxy and 10-methoxy derivatives of nido-carborane (9-Me₂O-7,8-C₂B₉H₁₁, 10-Me₂O-7,8-C₂B₉H₁₁, [9-MeO-7,8-C₂B₉H₁₁]⁻, and [10-MeO-7,8-C₂B₉H₁₁]⁻, respectively) were prepared by the reaction of the pa...