Supramolecular chemistry refers to the branch of chemistry concerning chemical systems composed of a discrete number of molecules. The strength of the forces responsible for spatial organization of the system range from weak intermolecular forces, electrostatic charge, or hydrogen bonding to strong covalent bonding, provided that the electronic coupling strength remains small relative to the energy parameters of the component. While traditional chemistry concentrates on the covalent bond, supramolecular chemistry examines the weaker and reversible non-covalent interactions between molecules. These forces include hydrogen bonding, metal coordination, hydrophobic forces, van der Waals forces, pi–pi interactions and electrostatic effects.
In chemistry, water(s) of crystallization or water(s) of hydration are water molecules that are present inside crystals. Water is often incorporated in the formation of crystals from aqueous solutions. In some contexts, water of crystallization is the total mass of water in a substance at a given temperature and is mostly present in a definite (stoichiometric) ratio. Classically, "water of crystallization" refers to water that is found in the crystalline framework of a metal complex or a salt, which is not directly bonded to the metal cation.
Quinacridone is an organic compound used as a pigment. Numerous derivatives constitute the quinacridone pigment family, which finds extensive use in industrial colorant applications such as robust outdoor paints, inkjet printer ink, tattoo inks, artists' watercolor paints, and color laser printer toner. As pigments, the quinacridones are insoluble. The development of this family of pigments supplanted the alizarin dyes.
Crystal engineering studies the design and synthesis of solid-state structures with desired properties through deliberate control of intermolecular interactions. It is an interdisciplinary academic field, bridging solid-state and supramolecular chemistry.
CrystEngComm is a peer-reviewed online-only scientific journal publishing original research and review articles on all aspects of crystal engineering including properties, polymorphism, target materials, and crystalline nanomaterials. It is published biweekly by the Royal Society of Chemistry and the editor-in-chief is Pierangelo Metrangolo. According to the Journal Citation Reports, the journal has a 2021 impact factor of 3.756. CrystEngComm has a close association with the virtual web community, CrystEngCommunity.
CrystEngCommunity is a virtual web community for people working in the field of crystal engineering. The website is owned by the Royal Society of Chemistry (RSC).
A molecular solid is a solid consisting of discrete molecules. The cohesive forces that bind the molecules together are van der Waals forces, dipole-dipole interactions, quadrupole interactions, π-π interactions, hydrogen bonding, halogen bonding, London dispersion forces, and in some molecular solids, coulombic interactions. Van der Waals, dipole interactions, quadrupole interactions, π-π interactions, hydrogen bonding, and halogen bonding are typically much weaker than the forces holding together other solids: metallic, ionic, and network solids. Intermolecular interactions, typically do not involve delocalized electrons, unlike metallic and certain covalent bonds. Exceptions are charge-transfer complexes such as the tetrathiafulvane-tetracyanoquinodimethane (TTF-TCNQ), a radical ion salt. These differences in the strength of force and electronic characteristics from other types of solids give rise to the unique mechanical, electronic, and thermal properties of molecular solids.
The term "polymer" refers to large molecules whose structure is composed of multiple repeating units and the prefix "supra" meaning "beyond the limits of". Supramolecular polymers are a new category of polymers that can potentially be used for material applications beyond the limits of conventional polymers. By definition, supramolecular polymers are polymeric arrays of monomeric units that are connected by reversible and highly directional secondary interactions–that is, non-covalent bonds. These non-covalent interactions include van der Waals interactions, hydrogen bonding, Coulomb or ionic interactions, π-π stacking, metal coordination, halogen bonding, chalcogen bonding, and host–guest interaction. The direction and strength of the interactions are precisely tuned so that the array of molecules behaves as a polymer in dilute and concentrated solution, as well as in the bulk.
The polyiodides are a class of polyhalogen anions composed entirely of iodine atoms. The most common and simplest member is the triiodide ion, I−
3. Other known larger polyiodides include [I4]2−, [I5]−, [I6]2−, [I7]−, [I8]2−, [I9]−, [I10]2−, [I10]4−, [I11]3−, [I12]2−, [I13]3−, [I14]4-, [I16]2−, [I22]4−, [I26]3−, [I26]4−, [I28]4− and [I29]3−. All these can be considered as formed from the interaction of the I–, I2, and I−
3 building blocks.
A halogen bond occurs when there is evidence of a net 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. Like a hydrogen bond, the result is not a formal chemical bond, but rather a strong electrostatic attraction. Mathematically, the interaction can be decomposed in two terms: one describing an electrostatic, orbital-mixing charge-transfer and another describing electron-cloud dispersion. Halogen bonds find application in supramolecular chemistry; drug design and biochemistry; crystal engineering and liquid crystals; and organic catalysis.
Acta Crystallographica is a series of peer-reviewed scientific journals, with articles centred on crystallography, published by the International Union of Crystallography (IUCr). Originally established in 1948 as a single journal called Acta Crystallographica, there are now six independent Acta Crystallographica titles:
The organic compound 3-pyridylnicotinamide (3-pna), also known as N-(pyridin-3-yl)nicotinamide, is a kinked dipodal dipyridine that is synthesized through the reaction of nicotinoyl chloride and 3-aminopyridine. The nitrogen atoms on its pyridine rings, like those of its isomer 4-pyridylnicotinamide, can donate their electron lone pairs to metal cations, allowing it to bridge metal centers and act as a bidentate ligand in coordination polymers. It can be used to synthesize polymers that have potentially useful gas adsorption properties.
Kim Kimoon is a South Korean chemist and professor in the Department of Chemistry at Pohang University of Science and Technology (POSTECH). He is the first and current director of the Center for Self-assembly and Complexity at the Institute for Basic Science. Kim has authored or coauthored 300 papers which have been cited more than 30,000 times and he holds a number of patents. His work has been published in Nature, Nature Chemistry, Angewandte Chemie, and JACS, among others. He has been a Clarivate Analytics Highly Cited Researcher in the field of chemistry in 2014, 2015, 2016.
Giuseppe Resnati is an Italian chemist with interests in supramolecular chemistry and fluorine chemistry. He has a particular focus on self-assembly processes driven by halogen bonds and chalcogen bonds.
5-Aminotetrazole is an organic compound with the formula HN4CNH2. It is a white solid that can be obtained both in anhydrous and hydrated forms.
A chalcogen bond (ChB) is an attractive interaction in the family of σ-hole interactions, along with halogen bonds. Electrostatic, charge-transfer (CT) and dispersion terms have been identified as contributing to this type of interaction. In terms of CT contribution, this family of attractive interactions has been modeled as an electron donor ) interacting with the σ* orbital of a C-X bond of the bond donor. In terms of electrostatic interactions, the molecular electrostatic potential (MEP) maps is often invoked to visualize the electron density of the donor and an electrophilic region on the acceptor, where the potential is depleted, referred to as a σ-hole. ChBs, much like hydrogen and halogen bonds, have been invoked in various non-covalent interactions, such as protein folding, crystal engineering, self-assembly, catalysis, transport, sensing, templation, and drug design.
Rahul Banerjee is an Bengali Indian organic chemist and a professor at the department of chemical sciences of the Indian Institute of Science Education and Research, Kolkata. Banerjee, a fellow of the Royal Society of Chemistry, is known for his studies in the field of Metal–organic framework designing. The Council of Scientific and Industrial Research, the apex agency of the Government of India for scientific research, awarded him the Shanti Swarup Bhatnagar Prize for Science and Technology, one of the highest Indian science awards, for his contributions to chemical sciences in 2018. Currently he is one of the associate editor of international peer-review journal Journal of the American Chemical Society.
Kumar Biradha is a researcher in the field of crystal engineering. He was born on 15 June 1968 in Relangi, Andhra Pradesh. He is a professor at the Department of Chemistry, Indian Institute of Technology, Kharagpur, and a member of Editorial Advisory board of Crystal Growth & Design, an American Chemical Society Journal.
Diiodoacetylene is the organoiodine compound with the formula C2I2. It is a white, volatile solid that dissolves in organic solvents. It is prepared by iodination of trimethylsilylacetylene. Although samples explode above 80 °C, diiodoacetylene is the most readily handled of the dihaloacetylenes. Dichloroacetylene, for example, is more volatile and more explosive. As confirmed by X-ray crystallography, diiodoacetylene is linear. It is however a shock, heat and friction sensitive compound. Like other haloalkynes, diiodoacetylene is a strong halogen bond donor.
Sigma hole interactions are a family of intermolecular forces that can occur between several classes of molecules and arise from an energetically stabilizing interaction between a positively charged site, termed a sigma hole, and a negatively charge site, typically a lone pair, on different atoms that are not covalently bonded to each other. These interactions are usually rationalized primarily via dispersion and electrostatic charge-transfer, and are characterized by a strong directional preference that makes them useful in applications in which control over supramolecular chemistry is desired.
