Side-on Coordination in Isostructural Nitrous Oxide and Carbon Dioxide Complexes of Nickel.

A nickel complex incorporating an N O ligand with a rare η -N,N'-coordination mode was isolated and characterized by X-ray crystallography, as well as by IR and solid-state NMR spectroscopy augmented by N-labeling experiments. The isoelectronic nickel CO complex reported for comparison features a very similar solid-state structure. Computational studies revealed that η -N O binds to nickel slightly stronger than η -CO in this case, and comparably to or slightly stronger than η -CO to transition metals in general.

Nickel as a Lewis Base in a T-Shaped Nickel(0) Germylene Complex Incorporating a Flexible Bis(NHC) Ligand.

Flexible, chelating bis(NHC) ligand 2, able to accommodate both cis- and trans-coordination modes, was used to synthesize (2)Ni(η -cod), 3. In reaction with GeCl , it produced (2)NiGeCl , 4, featuring a T-shaped Ni and a pyramidal Ge center. Complex 4 could also be prepared from [(2)GeCl]Cl, 5, and Ni(cod) , in a reaction that formally involved Ni-Ge transmetalation, followed by coordination of the extruded GeCl moiety to Ni.

Methylammonium Cation Dynamics in Methylammonium Lead Halide Perovskites: A Solid-State NMR Perspective.

In light of the intense recent interest in the methylammonium lead halides, CHNHPbX (X = Cl, Br, and I) as sensitizers for photovoltaic cells, the dynamics of the methylammonium (MA) cation in these perovskite salts has been reinvestigated as a function of temperature via H, N, and Pb NMR spectroscopy. In the cubic phase of all three salts, the MA cation undergoes pseudoisotropic tumbling (picosecond time scale). For example, the correlation time, τ, for the C-N axis of the iodide salt is 0.

Methylammonium lead chloride: A sensitive sample for an accurate NMR thermometer.

A new solid-state nuclear magnetic resonance (NMR) thermometry sample is proposed. The Pb NMR chemical shift of a lead halide perovskite, methylammonium lead chloride (MAPbCl) is very sensitive to temperature, 0.905±0.

Proton Probability Distribution in the O···H···O Low-Barrier Hydrogen Bond: A Combined Solid-State NMR and Quantum Chemical Computational Study of Dibenzoylmethane and Curcumin.

We report a combined solid-state (H, H, C, O) NMR and plane-wave density functional theory (DFT) computational study of the O···H···O low-barrier hydrogen bonds (LBHBs) in two 1,3-diketone compounds: dibenzoylmethane (1) and curcumin (2). In the solid state, both 1 and 2 exist in the cis-keto-enol tautomeric form, each exhibiting an intramolecular LBHB with a short O···O distance (2.435 Å in 1 and 2.