We describe the successful synthesis of the first mixed-cation (pseudoternary) amidoborane, Na[Li(NH(2)BH(3))(2)], with theoretical hydrogen capacity of 11.1 wt%. Na[Li(NH(2)BH(3))(2)] crystallizes triclinic (P1) with a = 5.0197(4) Å, b = 7.1203(7) Å, c = 8.9198(9) Å, α = 103.003(6)°, β = 102.200(5)°, γ = 103.575(5)°, and V = 289.98(5) Å(3) (Z = 2), as additionally confirmed by Density Functional Theory calculations. Its crystal structure is topologically different from those of its orthorhombic LiNH(2)BH(3) and NaNH(2)BH(3) constituents, with distinctly different coordination spheres of Li (3 N atoms and 1 hydride anion) and Na (6 hydride anions). Na[Li(NH(2)BH(3))(2)], which may be viewed as a product of a Lewis acid (LiNH(2)BH(3))/Lewis base (NaNH(2)BH(3)) reaction, is an important candidate for a novel lightweight hydrogen storage material. The title material decomposes at low temperature (with onset at 75 °C, 6.0% mass loss up to 110 °C, and an additional 3.0% up to 200 °C) while evolving hydrogen contaminated with ammonia.
SignificanceAntiferromagnets can host strong quantum fluctuations in their ground state if they combine both low dimensionality and low spin. Materials based on copper oxides (spin-1/2 ions in layered or 1D structures) are unique in optimizing the tendency to strong quantum fluctuations. As a bonus, they show extremely large magnetic interactions, which lead to interesting quantum effects at relatively high temperatures as anomalous transport properties and high-Tc superconductivity in doped systems. Obtaining similar features with other ions has been a long-standing goal. We show that silver and fluorine (which are next to copper and oxygen in the periodic table) in the commercial compound normalAnormalgnormalF2 reach the goal, paving the way for a different generation of quantum materials.
Statistical analysis of the aromatic character and its geometric and energetic contributions of 167 benzene rings embedded in various topological environments in 26 benzenoid hydrocarbons leads to the following conclusions: the aromatic character of benzene rings with three or fewer fused rings is due mostly to geometric contributions, whereas in other cases energetic contribution is decisive. Aromaticity indices for individual rings (local aromaticity) depend strongly on the kind of topological environment. Terminal rings always exhibit a strong aromatic character, whereas those fused to many rings are often weakly aromatic. The study is based on precisely solved X-ray or neutron crystal structure determination retrieved from Cambridge Structural Database supplemented by our own precise determination of coronene.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.