Aromatic Clusters as Potential Hydrogen Storage Materials

The scientific community is engrossed in the thought of a probable solution to the future energy crisis keeping in mind a better environment-friendly alternative. Although there are many such alternatives, the green hydrogen energy has occupied most of the brilliant minds due to its abundance and numerous production resources. For the advancement of hydrogen economy, Government agencies are funding pertinent research projects. There is an avalanche of molecular systems which are studied by several chemists for storing atomic and molecular hydrogens. The present review on molecular hydrogen storage focuses on all-metal and nonmetal aromatic clusters. In addition to the effect of aromaticity on hydrogen trapping potential of different molecular moieties, the importance of using the conceptual density functional theory based reactivity descriptors is also highlighted. Investigations from our group have been revealing the fact that several aromatic metal clusters, metal doped nonmetal clusters as well as pure nonmetal clusters can serve as potential molecular hydrogen trapping agents. Reported systems include N4Li2, N6Ca2 clusters, Mgn, and Can (n = 8–10) cage-like moieties, B12N12 clathrate, transition metal doped ethylene complexes, M3+ (M = Li, Na) ions, E3-M2 (E = Be, Mg, Al; M = Li, Na, K) clusters, Li3Al4− ions, Li decorated star-like molecules, BxLiy (x = 3–6; y = 1, 2), Li-doped annular forms, Li-doped borazine derivatives, C12N12 clusters (N4C3H)6Li6 and associated 3-D functional material, cucurbiturils, lithium–phosphorus double-helices. Ni bound C12N12 moieties are also reported recently.

Ternary aromatic and anti-aromatic clusters derived from the hypho species [Sn2Sb5]3−

Heterometallic clusters have attracted broad interests in the synthetic chemistry due to their various coordination modes and potential applications in heterogeneous catalysis. Here we report the synthesis, experimental, and theoretical characterizations of four ternary clusters ([M2(CO)6Sn2Sb5]3− (M = Cr, Mo), and [(MSn2Sb5)2]4−, (M = Cu, Ag)) in the process of capturing the hypho- [Sn2Sb5]3− in ethylenediamine (en) solution. We show that the coordination of the binary anion to transition-metal ions or fragments provides additional stabilization due to the formation of locally σ-aromatic units, producing a spherical aromatic shielding region in the cages. While in the case of [Mo2(CO)6Sn2Sb5]3− stabilization arises from locally σ-aromatic three-centre and five-centre two-electron bonds, aromatic islands in [(AgSn2Sb5)2]4− and [(CuSn2Sb5)2]4− render them globally antiaromatic. This work describes the coordination chemistry of the versatile building block [Sn2Sb5]3−, thus providing conceptual advances in the field of metal-metal bonding in clusters.

Results of 13c nmr and ftir spectroscopy of kerogen of the upper devonian domanik of the Timan-Pechorian basin

A kerogen samples set from organic carbon rich rocks of the Middle Frasnian Early Famennian age (Domanikites) of the Timan-Pechora basin, was characterized by the Rock-Eval pyrolysis data, solid-state 13C NMR spectroscopy and Fourier transform IR spectroscopy. Additionally, the spectral characteristics of kerogen isolated from rocks artificially maturated in an autoclave in the presence of water were investigated. In general, the direction of transformation of the kerogen structure with a natural or artificial maturation coincides. For kerogen, subjected to artificial maturation, is characterized by an increase in the concentration of terminal methyl groups in relation to the methylene units. Artificial maturation of kerogen leads to a more rapid rearrangement of aromatic clusters with the accumulation of bridgehead and protonated carbon as compared with natural maturation.

Carbon rings decorated with group 14 elements: new aromatic clusters containing planar tetracoordinate carbon

A simple and chemically intuitive approach is used to design ptC-containing E–C clusters (E = Si–Pb).