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Themed collection Halogen Bonding in Crystal Engineering Editor’s collection

15 items
Communication

Crystallization-induced room-temperature phosphorescence in fumaramides

Novel fumaramides exhibit room-temperature phosphorescence in the solid state once molecular design and positioning of the carbonyl and bromine atoms allow for the formation of strong intermolecular halogen bonding interactions.

Graphical abstract: Crystallization-induced room-temperature phosphorescence in fumaramides
Communication

Halogen-bonded cocrystals of donepezil with perfluorinated diiodobenzenes

Donepezil, an active pharmaceutical ingredient with several different acceptor sites for halogen bonding has successfully been cocrystallized with two perfluorinated halogen bond donors.

Graphical abstract: Halogen-bonded cocrystals of donepezil with perfluorinated diiodobenzenes
Communication

A self-assembled nanotube supported by halogen bonding interactions

Upper-rim halogenation of a calix[4]arene modulates the packing of self-assembled nanotubes through the formation of complementary halogen bonding interactions.

Graphical abstract: A self-assembled nanotube supported by halogen bonding interactions
Communication

Halogen bonding at the wet interfaces of an amyloid peptide structure

Halogenation is a promising tool to stabilize – through halogen bonds – the wet interface of amyloid structures.

Graphical abstract: Halogen bonding at the wet interfaces of an amyloid peptide structure
Paper

Crystal engineering of coordination-polymer-based iodine adsorbents using a π-electron-rich polycarboxylate aryl ether ligand

This work revealed that the synergy of microporous channels and convergent arrangements of halogen bonding and charge-transfer interaction sites within coordination polymers facilitated the iodine adsorption process.

Graphical abstract: Crystal engineering of coordination-polymer-based iodine adsorbents using a π-electron-rich polycarboxylate aryl ether ligand
Paper

The combination of halogen and hydrogen bonding: a versatile tool in coordination chemistry

4-Iodo-N-(4-pyridyl)benzamide (INPBA) and four derived coordination complexes were synthesized in order to explore the combination of halogen and hydrogen bonding interactions in coordination chemistry.

Graphical abstract: The combination of halogen and hydrogen bonding: a versatile tool in coordination chemistry
Paper

Halogen bonded metal bis(dithiolene) 2D frameworks

Short and directional I⋯S halogen bonding interactions in iodinated bis(dithiolene) complexes lead to the crystallization of 2D or 3D anionic frameworks.

Graphical abstract: Halogen bonded metal bis(dithiolene) 2D frameworks
Paper

Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds

Crystal engineering of halogen bonding tripodal receptors is found to be highly dependent on solvent and choice of anion.

Graphical abstract: Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds
Paper

Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule

2D halogen-bonded organic frameworks were readily engineered by strong and directional effects of the primary Br⋯O and the secondary Br⋯π halogen bonding interactions from the tetrabromobenzene-1,4-dicarboxylic acid building molecule involving 100% supramolecular yields.

Graphical abstract: Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule
Paper

Halogen bonding in 5-iodo-1-arylpyrazoles investigated in the solid state and predicted by solution 13C-NMR spectroscopy

Halogen bonding as important directional forces in the supramolecular structure of iodinated 1-arylpyrazoles.

Graphical abstract: Halogen bonding in 5-iodo-1-arylpyrazoles investigated in the solid state and predicted by solution 13C-NMR spectroscopy
Paper

Regioselective [2 + 2] cycloaddition reaction within a pair of polymorphic co-crystals based upon halogen bonding interactions

A pair of photoreactive polymorphic co-crystals that undergo a regioselective solid-state [2 + 2] cycloaddition reaction that yields exclusively the head-to-tail photoproduct is reported.

Graphical abstract: Regioselective [2 + 2] cycloaddition reaction within a pair of polymorphic co-crystals based upon halogen bonding interactions
Paper

Probing non-covalent interactions driving molecular assembly in organo-electronic building blocks

One co-crystal structure characterized to identify and quantify various non-covalent interactions with spectroscopy, X-ray crystallography and density functional theory computations.

Graphical abstract: Probing non-covalent interactions driving molecular assembly in organo-electronic building blocks
Paper

Halogen and chalcogen-bonding interactions in sulphur-rich π-electron acceptors

Sulphur and iodine heteroatoms on the acceptor skeleton induce chalcogen⋯chalcogen and halogen-bonding interactions.

Graphical abstract: Halogen and chalcogen-bonding interactions in sulphur-rich π-electron acceptors
Paper

Organic molecular tessellations and intertwined double helices assembled by halogen bonding

Crystalline polymorphs featuring halogen-bonded single-component supramolecular polygonal tessellations, a network of 41- and 43-double helices, and intertwined 31 and 32meso-helices.

Graphical abstract: Organic molecular tessellations and intertwined double helices assembled by halogen bonding
Paper

Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band

The halogen bonding (XB) in metal carbonyls blueshifts the νCO band and XB directionality is dictated by XB-accepting atom hybridization.

Graphical abstract: Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band
15 items

About this collection

The halogen bond is the attractive interaction between an electrophilic region associated with a halogen atom in a molecular entity and a nucleophilic region in another, or the same, molecular entity. Since its rediscovery in the early 2000s, the field of halogen bonding has boomed, becoming one of the most used chemical interactions in crystal engineering. This Editor’s collection, guest edited by Pierangelo Metrangolo, Chair of the CrystEngComm Editorial Boardand one of the modern-day fathers of halogen bonding, highlights recent contributions to CrystEngComm that are broadly focused on halogen bonding in crystal engineering. The selection of articles showcases how the field has developed from the design of crystal structures to the development of functional materials. The wide range of halogen bond applications covers phosphorescent materials, pharmaceutical co-crystals and peptides, organic electronics, coordination frameworks, where the halogen bonds either drive the formation of the network, or stabilize it as a secondary interaction, or is used to bind hosted guests. Halogen bonding has become a mature field of research but it’s rediscovery has sparked interest towards other lesser known interactions, which are foreseen to become prominent in the future, such as chalcogen, pnictogen, and tetrel bonds.

This collection is dedicated to Professor Giuseppe Resnati on the occasion of his 65th birthday.

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