Matere Bonds vs. Multivalent Halogen and Chalcogen Bonds: Three Case Studies [PDF]
Molecules, 2022 The term matere bond has been recently used to refer to an attractive noncovalent interaction between any element of group 7 acting as an electrophile and any atom (or group of atoms) acting as a nucleophile.
, Rosa M Gomila, Frontera Antonio
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A Combined Experimental/Quantum-Chemical Study of Tetrel, Pnictogen, and Chalcogen Bonds of Linear Triatomic Molecules [PDF]
Molecules, 2021 Linear triatomic molecules (CO2, N2O, and OCS) are scrutinized for their propensity to form perpendicular tetrel (CO2 and OCS) or pnictogen (N2O) bonds with Lewis bases (dimethyl ether and trimethyl amine) as compared with their tendency to form end-on ...
Wouter Herrebout +2 more
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The Nature of Strong Chalcogen Bonds Involving Chalcogen‐Containing Heterocycles [PDF]
Angewandte Chemie - International Edition, 2020 AbstractChalcogen bonds are σ hole interactions and have been used in recent years as an alternative to hydrogen bonds. In general, the electrostatic potential at the chalcogen atom and orbital delocalization effects are made responsible for the orientation of the chalcogen bond. Here, we were able to show by means of SAPT calculations that neither the
Rolf Gleiter, Gebhard Haberhauer
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Interplay between hydrogen and chalcogen bonds in cysteine [PDF]
Proteins: Structure, Function and Bioinformatics, 2023 Protein structures are stabilized by several types of chemical interactions between amino acids, which can compete with each other. This is the case of chalcogen and hydrogen bonds formed by the thiol group of cysteine, which can form three hydrogen bonds with one hydrogen acceptor and two hydrogen donors and a chalcogen bond with a nucleophile along ...
Oliviero Italo Carugo
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A Structural Approach to the Strength Evaluation of Linear Chalcogen Bonds [PDF]
Molecules, 2023 The experimental structural features of chalcogen bonding (ChB) interactions in over 34,000 linear fragments R–Ch⋯A (Ch = S, Se, Te; R = C, N, O, S, Se, Te; A = N, O, S, Se, Te, F, Cl, Br, I) were analyzed.
Anna Pintus
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The Balance between Hydrogen Bonds, Halogen Bonds, and Chalcogen Bonds in the Crystal Structures of a Series of 1,3,4-Chalcogenadiazoles [PDF]
Molecules, 2021 In order to explore how specific atom-to-atom replacements change the electrostatic potentials on 1,3,4-chalcogenadiazole derivatives, and to deliberately alter the balance between intermolecular interactions, four target molecules were synthesized and ...
Abhijeet Sinha +2 more
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Automated identification of chalcogen bonds in AlphaFold protein structure database files: is it possible? [PDF]
Frontiers in Molecular Biosciences, 2023 Protein structure prediction and structural biology have entered a new era with an artificial intelligence-based approach encoded in the AlphaFold2 and the analogous RoseTTAfold methods.
Oliviero Carugo +4 more
doaj +2 more sources
Bifurcated Chalcogen Bonds Based on One σ-Hole
Organic Materials, 2022 Chalcogen bonds are noncovalent interactions and are increasingly coming into focus for the design of complex structures in research areas such as crystal engineering, molecular recognition and catalysis. Conceptionally, chalcogen bonds can be considered
Rolf Gleiter, Gebhard Haberhauer
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Inorganics, 2023 In this manuscript, we have examined the CSD (Cambridge Structural Database) to investigate the relative ability of Te and I (in practice, the heaviest chalcogen and halogen atoms) in di- and tri-iododiorganyltellurium(IV) derivatives to establish σ-hole
, Rosa M Gomila, Antonio Bauza
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Structural study of bioisosteric derivatives of 5-(1H-indol-3-yl)-benzotriazole and their ability to form chalcogen bonds [PDF]
Acta Crystallographica Section E: Crystallographic Communications, 2022 Recently, interest in the isosteric replacement of a nitrogen atom to selenium, sulfur or oxygen atoms has been highlighted in the design of potential inhibitors for cancer research.
Manon Mirgaux +6 more
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