Single crystal X-ray analyses show that iodine in pyridinium periodates acts as a halogen
bond (HaB) donor forming short and almost linear contacts with neutral and anionic electron …

To explore the binding energy profiles and elucidate the bonding nature in counter-intuitive
anion⋯ anion coinage bonds (CiBs), thirty-one complexes were constructed, and the inter …

The existence of halogen, chalcogen, pnicogen, and tetrel bonds as variants of noncovalent
σ and π-hole bonds is now widely accepted, and many of their properties have been …

In gold (I) catalysis, the activation of Au (I) chloride catalysts via chloride abstraction and
noncovalent interactions has become a research focus in organometallic catalysis. In this …

Some cases of close contacts involving rhenium of perrhenate esters are presented and
investigated computationally. The structures and calculated interaction energies confirm the …

Density functional theory investigation of regium (Rg)− π bonding using the RgL–X model
system, where Rg= Cu and Ag; L= CN, NO2, and OH; X= π-conjugated system (benzene …

DFT calculations consider the interactions between linear MR2 and a series of N-bases,
where M is Hg or Zn and its R substituents are CCH, CN, or NO2. NCH, NH3, and NMe3 …

Except for the well-known σ-hole regium bonds formed by metal nanoparticles and M (I)(M=
Cu, Ag, and Au) derivatives, the existence of π-hole regions located above and below the Au …

The nature of π-hole spodium bonds in the HgLCl2⋯ ZH3/CH2Y complexes (L= pyrrole 1,
pyrazole 2, imidazole 3, pyridine 4, pyridazine 5, and pyrimidine 6; Z= N, P, As, and Sb; Y …

A discrete π-hole··· σ-hole dimer is synthesized and X-ray characterized. It presents a perfect
thumbtack geometry where the σ-hole of the linear [AuI2]− anion points to the π-hole located …