Reactions between bromoselenate(IV)-containing solutions, dibromine and salts of pyridinium-family organic cations resulted in structurally diverse, bromine-rich polybromine-bromoselenates(IV): (4-MePyH)[SeBr][SeBr](Br) (), (2-MePyH){[SeBr](Br)} (), (PyH){[SeBr]Br(Br)} (), (1-MePy){[SeBr](Br)} (). The compounds feature halogen and (in the case of ) chalcogen bonding in solid state, resulting in formation of supramolecular architectures of different dimensionality. DFT calculations allowed estimation of the energies of non-covalent interactions in -; additionally, characterization by Raman spectroscopy was performed.
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http://dx.doi.org/10.3390/molecules27165355 | DOI Listing |
Angew Chem Int Ed Engl
January 2025
University of Regensburg, Faculty of Chemistry and Pharmacy, Institute of Inorganic Chemistry, Universitätsstraße 31, D-93053, Regensburg, GERMANY.
Aminophosphates are the focus of research on prebiotic phosphorylation chemistry. Their bifunctional nature also makes them a powerful class of organocatalysts. However, the structural chemistry and dynamics of proton-binding in phosphorylation and organocatalytic mechanisms are still not fully understood.
View Article and Find Full Text PDFACS Phys Chem Au
January 2025
Departamento de Química, Universidade Federal de Santa Catarina, Campus Universitário Trindade, 88040-900 Florianópolis, SC, Brazil.
The present study elucidated the role of both hydrogen and halogen bonds, from an electronic structure perspective, in the anion recognition process by the [2]catenane () containing a moiety with hydrogen bond donors entangled with another macrocyclic halogen bond donor. Spherical and nonspherical anions have been employed. The roles of different σ-hole donors have also been considered.
View Article and Find Full Text PDFJ Comput Chem
January 2025
Department of Inorganic Chemistry, Faculty of Chemistry and Petroleum Sciences, Bu-Ali Sina University, Hamedan, Iran.
The strength and cooperative energy of chalcogen and dihydrogen bonds in some ABC triad systems of the types XHTe…NCH…HY (X = F, Cl, Br, I, H; Y = Li, Na, BeH, MgH) and FHCh…NCH…HNa (Ch = Te, Se, S) were computed and compared at several levels of theory. All resulting data showed that the strengths of chalcogen (Te…N) and dihydrogen (H…H) bonds increase in the order of H < I < Br < Cl < F, and Be < Mg < Li < Na, respectively. Then, the comparison of data for the FHTe…NCH…HY, FHSe…NCH…HNa, and FHS…NCH…HNa triads indicated that the interaction, stabilization, and cooperativity energies decrease in the order of Te > Se > S.
View Article and Find Full Text PDFInt J Mol Sci
January 2025
Research Institute of Chemistry, Peoples' Friendship University of Russia, 6 Miklukho-Maklaya Street, 117198 Moscow, Russia.
In this study, we report the first example of acyclic (amino)(N-pyridinium)carbenoid gold(III) complexes synthesized via a coupling reaction between 2-pyridylselenyl chloride and Au(I)-bound isonitriles. The reaction involves an initial oxidative addition of the Se-Cl moiety to Au(I), followed by the nucleophilic addition of the pyridine fragment to the isonitrile's C≡N bond, furnishing a metallacycle. Importantly, this is the first example of the pyridine acting as a nucleophile towards metal-bound isonitriles.
View Article and Find Full Text PDFInorg Chem
January 2025
School of Chemical Sciences, Indian Association for the Cultivation of Science, 2A and 2B Raja S. C. Mullick Road, Kolkata 700032, India.
The incorporation of a selenoimidazolium-based chalcogen bond (ChB) donor into a bis-heteroleptic Ru(II) complex (Ru-Se) has been designed for the first time to explore its anion-sensing properties and understand its selectivity to specific classes of anions. Photophysical studies demonstrate the receptor's selectivity toward phosphates, while H NMR displays its ability to recognize both I and HPO among the different halides and oxoanions through ChB interaction in CHCN and dimethyl sulfoxide- solvents, respectively. Additionally, microscopic studies such as DLS and TEM reveal that the selective turn-on sensing of HPO and HPO compared to I is driven by supramolecular aggregation behavior.
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