Abstract
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.
Highlights
With the ever-increasing utilization of energy, whose primary source has been fossil fuels for so long, the rate of carbon dioxide concentration in the atmosphere is increasing at an alarming rate
Hydrogen Storage in Aromatic Clusters more and more research projects are being undertaken to search for alternative reliable clean energy sources like hydrogen, nuclear, and efficiently harness the natural resources that we already have in the form of solar, hydro, and wind
We have described the influence of aromatic behaviour on the H2 trapping potential of various all-metal and nonmetal systems where it is measured in terms of nucleus independent chemical shift (NICS) (Schleyer et al, 1996; Chen et al, 2005) values
Summary
With the ever-increasing utilization of energy, whose primary source has been fossil fuels for so long, the rate of carbon dioxide concentration in the atmosphere is increasing at an alarming rate. More and more countries are announcing pledges towards attaining net-zero emissions by the year 2050 To achieve such goals, Hydrogen Storage in Aromatic Clusters more and more research projects are being undertaken to search for alternative reliable clean energy sources like hydrogen, nuclear, and efficiently harness the natural resources that we already have in the form of solar, hydro, and wind. A better way is to adsorb or entrap H2 in molecular clusters and cages such that the desorption process would be feasible Such materials must follow certain standard requirements set by the United States Department of Energy (DOE) (U.S Department of Energy, USCAR, 2017) to be considered as efficient storage material. We have described the influence of aromatic behaviour on the H2 trapping potential of various all-metal and nonmetal systems where it is measured in terms of nucleus independent chemical shift (NICS) (Schleyer et al, 1996; Chen et al, 2005) values
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