Chalcogen bonding in coordination chemistry

Coordination Chemistry Reviews, Journal Year: 2022, Volume and Issue: 464, P. 214556 - 214556

Published: April 13, 2022

The chalcogen bond (ChB) is defined as a noncovalent interaction between the electron density deficient region (so-called σ or π hole) of covalently bonded atom and nucleophilic (Nu) site in same (intramolecular) another (intermolecular) molecular entity: R–Ch⋯Nu [Ch = O, S, Se Te; R C, Pn (pnictogen), Ch, metal, etc.; Nu lone pair possessing Ha, metal atom, π-system, anion, radical, etc.]. Like halogen (Ha) pnictogen (Pn) bonds, parameters (strength, high directionality tunability) make ChB relevant supramolecular tool design secondary coordination sphere complexes, which concerns an important synthetic strategy improvement functional properties materials. In this review we discuss/illustrate several examples, taken from Cambridge Structural Database, plays crucial role decoration compounds, controlling conformation, packing aggregation tectons, well formation 0D aggregates, 1D chains, 2D layers, 3D frameworks, etc.

Language: Английский

---

Halogen bonds, chalcogen bonds, pnictogen bonds, tetrel bonds and other σ-hole interactions: a snapshot of current progress

Acta Crystallographica Section C Structural Chemistry, Journal Year: 2023, Volume and Issue: 79(6), P. 204 - 216

Published: May 15, 2023

We report here on the status of research halogen bonds and other σ-hole interactions involving p -block elements in Lewis acidic roles, such as chalcogen bonds, pnictogen tetrel bonds. A brief overview available literature this area is provided via a survey many review articles that address field. Our focus has been to collect together most published since 2013 provide an easy entry into extensive area. snapshot current by introduction virtual special issue compiled journal, comprising 11 entitled ` Halogen, chalcogen, bonds: structural chemistry beyond .'

Language: Английский

---

Te⋯N secondary-bonding interactions in tellurium crystals: Supramolecular aggregation patterns and a comparison with their lighter congeners

Coordination Chemistry Reviews, Journal Year: 2022, Volume and Issue: 457, P. 214397 - 214397

Published: Jan. 21, 2022

Language: Английский

---

Exploring Supramolecular Assembly Space of Cationic 1,2,4-Selenodiazoles: Effect of the Substituent at the Carbon Atom and Anions

Molecules, Journal Year: 2022, Volume and Issue: 27(3), P. 1029 - 1029

Published: Feb. 2, 2022

Chalcogenodiazoles have been intensively studied in recent years the context of their supramolecular chemistry. In contrast, newly discovered cationic 1,2,4-selenodiazole building blocks, which can be obtained via coupling between 2-pyridylselenyl halides and nitriles, are virtually unexplored. A significant advantage latter is facile structural tunability variation could allow a fine tuning self-assembly solid state. Here, we explore influence substituent (which derives from nitrile) counterions on assembly 1,2,4-selenodiazoles chalcogen bonding.

Language: Английский

---

Pyridine-2-selanyl chloride in the synthesis of condensed heterocycles (microreview)

Chemistry of Heterocyclic Compounds, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 6, 2025

Language: Английский

---

Chalcogen-Bonded [Se–N]2 Cyclic Supramolecular Synthons Enhanced by Halogen Bonds: Studies in the Gas Phase and Crystalline Phase

International Journal of Molecular Sciences, Journal Year: 2025, Volume and Issue: 26(5), P. 2324 - 2324

Published: March 5, 2025

Chalcogen-bonded [Se-N]2 is a strong cyclic supramolecular synthon in chemistry. Selenadiazole commonly used the synthesis of [Se-N]2. One nitrogen atom selenadiazole molecule participates formation [Se-N]2, while other can participate types noncovalent bonds. Investigating effect neighboring bonds on beneficial for its further and application. In this study, we combined theoretical calculations crystallography to explore I···N halogen both gas phase crystalline phase. Gas-phase show that increases strength bond directly proportional phase, influenced by more addition bonds, making results complex. However, if relatively small, remains It believed conclusions drawn from are also applicable

Language: Английский

---

2-hydroxylbenzoyl-pyrazolo[1,5-a]pyrimidines as inhibitors against bacterial pathogens and MCF7 human breast cancer cells

Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: unknown, P. 142278 - 142278

Published: April 1, 2025

Language: Английский

---

Robust Supramolecular Dimers Derived from Benzylic-Substituted 1,2,4-Selenodiazolium Salts Featuring Selenium⋯π Chalcogen Bonding

International Journal of Molecular Sciences, Journal Year: 2022, Volume and Issue: 23(23), P. 14973 - 14973

Published: Nov. 29, 2022

The series of benzylic-substituted 1,2,4-selenodiazolium salts were prepared via cyclization reaction between 2-pyridylselenyl chlorides and nitriles fully characterized. Substitution the Cl anion by weakly binding anions promoted formation supramolecular dimers featuring four center Se2N2 chalcogen bonding two antiparallel selenium⋯π interactions. Chalcogen interactions studied using density functional theory calculations, molecular electrostatic potential (MEP) surfaces, quantum atoms-in-molecules (QTAIM), noncovalent interaction (NCI) plot. investigations revealed fundamental role contacts that are stronger than Se⋯N in dimers. Importantly, described herein, benzylic substitution approach can be utilized for reliable dimerization selenodiazolium cations solid state, which employed engineering.

Language: Английский

---

Halogen Bond-Assisted Supramolecular Dimerization of Pyridinium-Fused 1,2,4-Selenadiazoles via Four-Center Se2N2 Chalcogen Bonding

International Journal of Molecular Sciences, Journal Year: 2024, Volume and Issue: 25(7), P. 3972 - 3972

Published: April 3, 2024

The synthesis and structural characterization of α-haloalkyl-substituted pyridinium-fused 1,2,4-selenadiazoles with various counterions is reported herein, demonstrating a strategy for directed supramolecular dimerization in the solid state. compounds were obtained through recently discovered 1,3-dipolar cycloaddition reaction between nitriles bifunctional 2-pyridylselenyl reagents, their structures confirmed by X-ray crystallography. α-Haloalkyl-substituted exclusively formed dimers via four-center Se···N chalcogen bonding, supported additional halogen bonding involving α-haloalkyl substituents. introduction halogens at α-position substituent R selenadiazole core proved effective promoting dimerization, which was unaffected variation counterions. Additionally, impact cocrystallization classical bond donor C6F3I3 on assembly investigated. Non-covalent interactions studied using density functional theory calculations topological analysis electron distribution, indicated that all ChB, XB HB are purely non-covalent attractive nature. This study underscores potential directing self-assembly materials employing derived from reagents.

Language: Английский

---

Te⋯I secondary-bonding interactions in crystals containing tellurium(ii), tellurium(iv) and iodide atoms: supramolecular aggregation patterns, nature of the non-covalent interactions and energy considerations

CrystEngComm, Journal Year: 2024, Volume and Issue: 26(21), P. 2784 - 2795

Published: Jan. 1, 2024

The importance of σ-hole bonding is emphasised in a series mixed tellurium( ii )/tellurium( iv )/iodide crystals.

Language: Английский

---