Exploring Au (I) involving halogen bonding with N-heterocyclic carbene Au (I) aryl complexes in crystalline media

AS Mikherdov, M Jin, H Ito - Chemical Science, 2023 - pubs.rsc.org
Among the known types of non-covalent interactions with a Au (I) metal center, Au (I)
involving halogen bonding (XB) remains a rare phenomenon that has not been studied …

On the nature of inter-anion coinage bonds

J Li, Q Feng, C Wang, Y Mo - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
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 …

Does a halogen bond require positive potential on the acid and negative potential on the base?

S Scheiner - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
It is usually expected that formation of a halogen bond (XB) requires that a region of positive
electrostatic potential associated with a σ or π-hole on the Lewis acid will interact with the …

Matere Bonds in Technetium Compounds: CSD Survey and Theoretical Considerations

S Burguera, RM Gomila, A Bauzá, A Frontera - Crystals, 2023 - mdpi.com
Noncovalent interactions involving metals as electron acceptors are continuously under
investigation. The term “matere bond” has been proposed to identify noncovalent donor …

I/I3 Redox-Assisted Synthesis and Properties of Low Dimensional, Mixed-Valent Gold Iodide Perovskite Derivatives

BW Walusiak, A Raghavan, CL Cahill - Crystal Growth & Design, 2024 - ACS Publications
We report a set of three new mixed-valent AuI AuIII iodides:(ClPy) 3 [AuI2] 2 [AuI4][1],(BrPy)
3 [AuI2] 2 [AuI4][2], and (ClPy) 2 [AuI2][AuI4][3], as well as three new monovalent AuIII …

Quantum chemical analysis of noncovalent bonds within crystals. Concepts and concerns

S Scheiner - CrystEngComm, 2023 - pubs.rsc.org
While it may seem straightforward to enlist quantum chemical calculations to evaluate the
energy of a particular atom-to-atom noncovalent bond within the context of a crystal …

Group-10 π-hole⋯ d z2 [M II] interactions: a theoretical study of model systems inspired by CSD structures

M Calabrese, S Burguera, G Resnati, A Frontera - Dalton Transactions, 2023 - pubs.rsc.org
In recent years Pd (II) and Pt (II) cases have been reported wherein metals in square planar
complexes were used as nucleophilic partners to construct supramolecular assemblies with …

Anions as Lewis Acids in Noncovalent Bonds

S Scheiner - Chemistry–A European Journal, 2024 - Wiley Online Library
The ability of an anion to serve as electron‐accepting Lewis acid in a noncovalent bond is
assessed via DFT calculations. NH3 is taken as the common base, and is paired with a host …

[图书][B] Assembly and Structure-Property Relationships of Perovskite Derivatives and Lanthanide Hybrid Materials

BW Walusiak - 2024 - search.proquest.com
The realm of hybrid materials encompasses an expansive range of chemical compositions
and use cases. Combination of organic and inorganic species grants the resulting …

[PDF][PDF] Matere Bonds in Technetium Compounds: CSD Survey and Theoretical Considerations. Crystals 2023, 13, 187

S Burguera, RM Gomila, A Bauzá, A Frontera - 2023 - researchgate.net
Noncovalent interactions involving metals as electron acceptors are continuously under
investigation. The term “matere bond” has been proposed to identify noncovalent donor …