A close insight into the nature of intra- and intermolecular interactions in new Cu(II) Schiff base complexes derived from halogenated salicylaldehydes and allylamine: Theoretical and crystallographic studies

Electron belt-to-σ-hole switch of noncovalently bound iodine(i) atoms in dithiocarbamate metal complexes

“…Although the Cu II ⋯I distance is slightly longer than Σ vdW , the existence of the Cu⋯I-C interaction in 1•2FIB, attributed to semicoordination, was confirmed by appropriate theoretical calculations (section 3) and also supported by the literature data. Indeed, copper(II)⋯iodine semicoordinative contacts shorter than Σ vdW (3.38 Å) are common, [71][72][73][74][75][76][77] but examples of Cu II ⋯I contacts longer than Σ vdW are also not unusual 73,74,[78][79][80][81][82][83][84] (for further details see also the ESI †).…”

Synthesis, characterization and magnetic properties of halogenated tetranuclear cubane-like nickel(ii) complexes

“…Based on the distance (Br(2)⋯Br(4) = 3.5013(17) Å) and angles (C(16)–Br(4)⋯Br(2) = 145.867° and C(9)–Br(2)⋯Br(4) = 137.164°) in Br⋯Br contacts, the halogen–halogen interactions can best describe as type II. 54,56 Non-classical hydrogen bonds and other intermolecular interactions with distances shorter than the sum of van der Waals radii are shown in Table S3 (ESI†).…”

“…A zigzag chain of Br atoms is visible when viewed down the a-axis and involves a short BrÁ Á ÁBr contact of 3.5013( 17 can best describe as type II. 54,56 Non-classical hydrogen bonds and other intermolecular interactions with distances shorter than the sum of van der Waals radii are shown in Table S3 (ESI †).…”

“…Based on the geometry, halogenÁ Á Áhalogen interactions are known to be of two types, type 1 and type 2. 54 Aiming to understand the role of halogen atoms in magnetic properties of cubane-type {M 4 O 4 } clusters, here, a number of cubane-type {Ni 4 O 4 } clusters with 3,5-substituted-2-hydroxybenzaldehyde were synthesized and their magnetic properties were investigated (Scheme 1).…”