Results 51 to 60 of about 3,648 (206)
Intramolecular N···F Pnictogen Bond Mitigates the Explosive Behavior of Azido‐L‐Phenylalanines
ChemistryEurope, EarlyView.An intramolecular N···F pnictogen bond is the key for the chemical stabilization of the fluorinated azido‐L‐phenylalanines, mitigating the risk of explosion and thus facilitating the handling and storage of these materials. Organic azides are versatile intermediates but are plagued by intrinsic instability and potential explosiveness. Here, it is shown
Andrea Pizzi +5 more
wiley +1 more source
Química Nova, 2016 The nature of the metal-ligand interactions, in the [Ti(CO)6]2-, [V(CO)6]-, [Cr(CO)6], [Mn(CO)6]+, [Fe(CO)6]2+ and [Co(CO)6]3+ complexes has been studied by means of topological analyses of the electron charge density, using the Quantum Theory of Atoms ...
Gabriel J. Buralli +2 more
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Data in Brief, 2022 Theoretical understanding of dimethylsulfoxide (DMSO) liquid depends on the understanding of the DMSO clusters. In this work, we provide the structures and the energetics of the DMSO clusters.
Alhadji Malloum, Jeanet Conradie
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Elucidating the Role of Noncovalent Interactions in Favipiravir, a Drug Active against Various Human RNA Viruses; a 1H-14N NQDR/Periodic DFT/QTAIM/RDS/3D Hirshfeld Surfaces Combined Study [PDF]
, 2023 Jolanta Natalia Latosińska +5 more
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Unlocking Heterobimetallic Architectures in a Symmetric PNNP Ligand Environment
Chemistry – A European Journal, EarlyView.A symmetric PNNP ligand enables the modular assembly of heterobimetallic ZnRu and CoRu complexes from a mononuclear Ru(II) precursor. Ligand deprotonation triggers dearomatization and contraction of the metal–metal distance. Combined DFT and QTAIM analyses reveal metallophilic interaction in CoRu but not in ZnRu, highlighting controllable geometric and
Stanislav Melnikov +4 more
wiley +1 more source
A Crystalline Mono‐Coordinate Indium(I)‐Phosphaalkenyl
Angewandte Chemie, Volume 138, Issue 8, 16 February 2026.The redox neutral carbometallation of a phospha‐alkyne using the dimeric indium(I) compound (InTer)2 is reported. This reaction affords a mono‐coordinate indium(I) compound that can reversibly extrude the phospha‐alkyne upon addition of a Lewis acid. Abstract The synthesis of the mono‐coordinate indium(I) compound In[C(Ad)═PTer] (Ad = 1‐adamantyl, Ter =
Álvaro García‐Romero +3 more
wiley +2 more sources
Molecules, 2019 Intramolecular hydrogen bond (IMHB) interactions have attracted considerable attention due to their central role in molecular structure, chemical reactivity, and interactions of biologically active molecules.
Maximiliano Martínez-Cifuentes +4 more
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ChemPhysChem, Volume 26, Issue 6, March 15, 2025.The ionization of anthracene, acridine, and phenazine has been explored, along with the removal of one and two hydrogen atoms, to provide valuable information for astrochemists and to understand the behavior of the resulting structures and their electronic reorganization. Abstract In this study, we systematically explored the stability and isomerism of
Khaldia Zghida +3 more
wiley +1 more source
Effect of Substitution of Hydrogen Atoms in the Molecules of Anthrone and Anthraquinone
Molecules, 2021 The geometry of anthrone and anthraquinone—natural substances of plant origin—was investigated under the substitution of hydrogen atoms in side aromatic ring and, for anthrone, also in the central ring. A significant influence of substitution on geometry
Małgorzata Szymańska, Irena Majerz
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Journal of Heterocyclic Chemistry, EarlyView.Isolation and characterization of Se‐brominated Hügerschoff intermediates enable structural and mechanistic insight into seleno‐Hügerschoff cyclization to 2‐aminobenzoselenazoles. ABSTRACT A brominated intermediate within the Hügerschoff reaction has long been postulated but never directly observed.
Adam W. E. Stewart +5 more
wiley +1 more source