Author, as appears in the article.: Benito, M; Rosello, Y; Barcelo-Oliver, M; Frontera, A; Molins, E
Department: Química Física i Inorgànica
URV's Author/s: Rosello Marin, Yannick
Keywords: Thymine Nucleobases Noncovalent interactions Molecular recognition Mechanochemistry Dft Crystal engineering Crystal Cocrystal
Abstract: Among non-covalent interactions, halogen bonding is emerging as a new powerful tool for supramolecular self-assembly. Here, along with a green and effective method, we report three new halogen-bonded cocrystals containing uracil derivatives and 1,2,4,5-tetrafluoro-3,6-diiodobenzene as X-bond donor coformer. These multicomponent solids were prepared both by solvent-drop grinding and solution methods and further characterized by powder and single-crystal X-ray diffraction, Fourier-transformed infrared spectroscopy, and thermal methods (TGA-DSC). In order to study the relative importance of hydrogen versus halogen bonds in the crystal packing, computational methods were applied.</p>
Thematic Areas: Zootecnia / recursos pesqueiros Spectroscopy Saúde coletiva Química Psicología Physical and theoretical chemistry Organic chemistry Odontología Nutrição Molecular biology Medicine (miscellaneous) Medicina veterinaria Medicina iii Medicina ii Medicina i Materiais Interdisciplinar Inorganic chemistry Geociências Farmacia Engenharias iv Engenharias ii Engenharias i Educação física Computer science applications Ciências biológicas iii Ciências biológicas ii Ciências biológicas i Ciências ambientais Ciências agrárias i Ciência de alimentos Ciência da computação Chemistry, multidisciplinary Catalysis Biotecnología Biodiversidade Biochemistry & molecular biology Astronomia / física
licence for use: https://creativecommons.org/licenses/by/3.0/es/
Author's mail: yannick.rosello@estudiants.urv.cat
Record's date: 2024-07-27
Papper version: info:eu-repo/semantics/publishedVersion
Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
Papper original source: International Journal Of Molecular Sciences. 22 (19):
APA: Benito, M; Rosello, Y; Barcelo-Oliver, M; Frontera, A; Molins, E (2021). Uracil Derivatives for Halogen-Bonded Cocrystals. International Journal Of Molecular Sciences, 22(19), -. DOI: 10.3390/ijms221910663
Entity: Universitat Rovira i Virgili
Journal publication year: 2021
Publication Type: Journal Publications
Repositori URV