Journal ArticleDOI
Spodium Bonds: Noncovalent Interactions Involving Group 12 Elements.
TLDR
Evidence of the existence of this interaction between Spodium (Sp) bond and Lewis bases or anions is provided by calculations at the RI-MP2/aug-cc-pVTZ level of theory, atoms-in-molecules and natural bond orbital analyses and by examining solid state structures in the Cambridge Structure Database.Abstract:
The term spodium (Sp) bond is proposed to refer to a net attractive interaction between any element of Group 12 and electron-rich atoms (Lewis bases or anions). These noncovalent interactions are markedly different from coordination bonds (antibonding Sp-ligand orbital involved). Evidence is provided for the existence of this interaction by calculations at the RI-MP2/aug-cc-pVTZ level of theory, atoms-in-molecules, and natural bond orbital analyses and by examining solid-state structures in the Cambridge Structure Database.read more
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Crystal engineering strategies towards halogen-bonded metal–organic multi-component solids: salts, cocrystals and salt cocrystals
TL;DR: In this article, the authors give an overview of the current advances in the preparation of halogen-bonded metal-organic multi-component solids, including salts, cocrystals comprising neutral constituents, as well as cocrystal comprising ionic constituents.
Journal ArticleDOI
Molecular Electrostatic Potential and Noncovalent Interactions in Derivatives of Group 8 Elements
Giuseppe Resnati,Andrea Daolio,Andrea Pizzi,Miriam Calabrese,Giancarlo Terraneo,Simone Bordignon,Antonio Frontera +6 more
TL;DR: In this article, experimental and theoretical evidences of σ-hole interactions in adducts between nitrogen or oxygen nucleophiles and tetroxides of osmium or other group 8 elements were reported.
Journal ArticleDOI
On the Importance of σ–Hole Interactions in Crystal Structures
Antonio Frontera,Antonio Bauzá +1 more
TL;DR: In this article, a review of σ-hole interactions with electron-rich species is presented, where the main group element behaves as a Lewis base (from one to three available lone pairs, respectively), thus presenting a dual character.
Journal ArticleDOI
Anion⋅⋅⋅Anion Interactions Involving σ-Holes of Perrhenate, Pertechnetate and Permanganate Anions.
TL;DR: In this article, the matere bond (MaB) was proposed to categorize these noncovalent interactions and differentiate them from the classical metal-ligand coordination bond.
Journal ArticleDOI
Anion⋅⋅⋅Anion Coinage Bonds: The Case of Tetrachloridoaurate
Andrea Daolio,Andrea Pizzi,Giancarlo Terraneo,Maurizio Ursini,Antonio Frontera,Giuseppe Resnati +5 more
TL;DR: In this paper, the distorted octahedral geometry of the bonding pattern around the gold center is rationalized on the basis of the anisotropic distribution of the electron density, which enables gold to behave as an electrophile (π-hole coinage-bond donor).
References
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Journal ArticleDOI
Van der Waals Radii of Elements
TL;DR: In this paper, the authors summarized the available data on the van der Waals radii of atoms in molecules and crystals and discussed the mechanisms of transformations between these types of chemical bonding.
Journal ArticleDOI
Halogen bonding and other σ-hole interactions: a perspective
TL;DR: A σ-hole bond is a noncovalent interaction between a covalently-bonded atom of Groups IV-VII and a negative site, e.g. a lone pair of a Lewis base or an anion.
Journal ArticleDOI
Computer Modeling of Halogen Bonds and Other σ-Hole Interactions
TL;DR: Advances from about the last 10 years in understanding those interactions related to σ-hole are summarized, with particular attention to theoretical and computational techniques, which play a crucial role in the field.
Journal ArticleDOI
The Bright Future of Unconventional σ/π-Hole Interactions
TL;DR: The physical nature of σ- and π-hole interactions is described, a selection of inquiries that utilise ρ- andπ-holes are presented, and an overview of analyses of structural databases (CSD/PDB) that demonstrate how prevalent these interactions already are in solid-state structures are given.