Metal-mediated generation of triazapentadienate-terminated di- and trinuclear μ₂-pyrazolate Ni^IIspecies and control of their nuclearity

Abstract

Nuclearity control of nickel(ii)–azole systems for the generation of well-defined (azolate)2NiIIspecies.

Bromo‐ and Polybromoantimonates(V): Structural and Theoretical Studies of Hybrid Halogen‐Rich Halometalate Frameworks

“…[47] This approach has already been used in our studies of different non-covalent interactions,f or example, hydrogen, [48][49][50][51][52] halogen, [53][54][55] and chalcogen [56] bonding, stacking, [57] as well as metallophilic interactions. [58][59][60] The results are summarized in Ta ble S1 (in the Supporting Information;t he contourl ine diagrams of the Laplacian distribution ! 2 1(r), bond paths,a nd selected zero-flux surfaces for 3 and 4 are showninFigures 8and 9.…”

1D and 2D Polybromotellurates(IV): Structural Studies and Thermal Stability

“…The DFT calculations and topological analysis of the electron density distribution within the framework of Bader's theory (QTAIM method) were carried out for model supramolecular clusters 1 and 2 (see SI) featuring intermolecular non‐covalent interactions Br ··· Br to quantify energies of these contacts from a theoretical viewpoint. This approach has already been successfully used for different non‐covalent interactions . The results are summarized in Table S1 (SI), the contour line diagrams of the Laplacian distribution ∇ 2 ρ(r), bond paths, and selected zero‐flux surfaces for 1 and 2 are shown in Figure and Figure .…”

Metal-mediated reactions between dialkylcyanamides and acetamidoxime generate unusual (nitrosoguanidinate)nickel(ii) complexes

“…34) to 2.40 Å. 35 Taking into consideration that metallophilic interactions often impart important properties to functional materials (viz., magnetism, conductivity, or luminescence 36 ) and, in addition, that only one theoretical study was performed by us on the metallophilic nature of Ni II ⋯Ni II short contacts and their energies were reported, 9 in the current work a detailed computational study of this phenomenon has been performed.…”

“…Similar transformations were postulated for the Ni II -mediated reaction of dialkylcyanamides with pyrazoles in undried MeOH. 9 Ammonia, which was accumulated in the reaction mixture, reacted with either the (NCNR 2 )Ni II (b) or {HN̲ vC(NR 2 )ON̲ vC(NH 2 )Me}Ni II (c) species, producing complexes featuring the {HNvC(NR 2 ) NH 2 }Ni II functionality via nucleophilic addition (b) or Pinnerlike nucleophilic substitution (c) routes. Addition of external ammonia to the NiCl 2 •2H 2 O/NCNMe 2 /MeC(vNOH)NH 2 system in methanol does not change the yield of the reaction.…”

“…This approach has already been successfully used by us in studies on the non-covalent interactions and properties of coordination bonds in various transition metal complexes. 9,38 The contour line diagram of the Laplacian distribution ∇ 2 ρ(r), bond paths, and selected zero-flux surfaces for Ni⋯Ni metallophilic interactions in 5-100 is shown in Fig. 2.…”