N—H...S and C—H...S hydrogen bonds in two tetraalkylammonium dithiobiurea(1–) inclusion compounds

Abstract

Two inclusion compounds of dithiobiurea and tetrapropylammonium and tetrabutylammonium are characterized and reported, namely tetrapropylammonium carbamothioyl(carbamothioylamino)azanide, C12H28N(+)·C2H5N4S2(-), (1), and tetrabutylammonium carbamothioyl(carbamothioylamino)azanide, C16H36N(+)·C2H5N4S2(-), (2). The results show that in (1), the dithiobiurea anion forms a dimer via N-H···N hydrogen bonds and the dimers are connected into wide hydrogen-bonded ribbons. The guest tetrapropylammonium cation changes its character to become the host molecule, generating pseudo-channels containing the aforementioned ribbons by C-H···S contacts, yielding the three-dimensional network structure. In comparison, in (2), the dithiobiurea anions are linked via N-H···S interactions, producing one-dimensional chains which pack to generate two-dimensional hydrogen-bonded layers. These layers accommodate the guest tetrabutylammonium cations, resulting in a sandwich-like layer structure with host-guest C-H···S contacts.

Hydrogen Bond-Driven Self-Assembly between Single-Layer MoS2 and Alkyldiamine Molecules

“…This is illustrated in Figures , S10, and S11. It should be noted that, though the both revealed types of binding interactions are widely classified as nonconventional H-bonds, they differ considerably with each other and with classical OH···O hydrogen bonds in the proton acidity and acceptor center basicity and in the relative role of dispersion and electrostatic interactions in their stabilization. , For CH···S contacts in CH 4 ···H 2 S molecular complexes, even domination of van-der-Waals type of binding was claimed …”

Global robustness versus local vulnerabilities in complex synchronous networks

“…with Γ α = γ 2 − 4λ α /m and γ = d/m. Similar expressions have been derived using the transfer function formalism [14,44] or within linear response [16,33,45]. When γ 2 < 4λ α /m, Γ α ∈ iR and accordingly, |Γ α | corresponds to the angular frequency of oscillations along the eigenmode u α of L. When on the other hand γ 2 > 4λ α /m, Γ α ∈ R and gives an additional damping beyond γ.…”

Do the Ni binding modes on C12N12 cluster influence its H2 trapping capability?

“…AlN nano-cages (spherical) and nanostructures have been found to be sufficiently capable of storing hydrogen, as reported by Guo et al [52] and Wang et al [53] respectively. In the recent past, theoreticians have reported some metal-doped and decorated nanostructures [54][55][56][57][58][59] along with their pure analogues for hydrogen storing purposes.…”