Solution structural characterization of an array of nanoscale aqueous inorganic Ga13−xInx (0 ≤ x ≤ 6) clusters by ¹H-NMR and QM computations

Abstract

Complete structural determination by 1H NMR spectroscopy and QM computations reveals a series of heterometallic Ga13–xInx(μ3-OH)6(μ2-OH)18(H2O)24](NO3)15 clusters persist in solution and can exist as an isomeric mixture.

Mechanistic insight into novel sulfoxide containing SABRE polarisation transfer catalysts

“…The ratio of this product increases to 13% after the addition of 50 µL H 2 O, as shown in Fig. 1 47 The formation of 2 is not unexpected as iridium aqua complexes are known and the reactions performed throughout this work are not completed under anhydrous conditions because our aim is to achieve SABRE catalysis using an air stable precursor with minimum end-user challenge. [48][49][50] DFT calculations have been used to further confirm these product assignments, with their predicted relative energies detailed in Table 1 (see ESI ‡ for details).…”

The use of mixed-metal single source precursors for the synthesis of complex metal oxides

“…These have been shown to exist as statistical mixtures of each composition, each having different 1 H NMR spectroscopic signatures. 4,90,137 Statistically mixed coordination polymers can also act as SSPs, for example, LiMxM'yM''z(acac Please do not adjust margins Please do not adjust margins z = 1) with structures based on that of LiCo(acac)3, allow access to a range of different Li-ion battery cathode materials LiMxM'yM''zO2 with varying metal contents. 138 Imprecise mixed-metal MOFs may also act as useful precursors -for example MOF 74 may be prepared with Ni, Co or a mixture of the two metals.…”

Proton-Exchange Rates on Hydroxide Bridges of Mineral-Like Metal-Hydroxide Clusters

“…We assigned 1 H‐NMR signals for the isostructural set of [Ga 13‐x In x (μ 3 ‐OH) 6 (μ 2 ‐OH) 18 (H 2 O) 24 ](NO 3 ) 15 (0≤x≤6) cluster species in wet d 6 ‐dimethylsulfoxide ( d 6 ‐DMSO) in order to study the kinetics of proton‐exchange events . When completely ligated with water, the Ga 13 and Ga 7 In 6 have D 3d symmetry and three types of hydroxide bridges (Figure a) . Each of the bridges (µ 3 ‐OH, µ 2 ‐OH ext , and µ 2 ‐OH int ) are visible in the 1 H‐NMR spectrum, are assigned, and behave uniquely in solution.…”