Autor segons l'article: Benito, M; Rosello, Y; Barcelo-Oliver, M; Frontera, A; Molins, E
Departament: Química Física i Inorgànica
Autor/s de la URV: Rosello Marin, Yannick
Paraules clau: Thymine Nucleobases Noncovalent interactions Molecular recognition Mechanochemistry Dft Crystal engineering Crystal Cocrystal
Resum: 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>
Àrees temàtiques: 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
Accès a la llicència d'ús: https://creativecommons.org/licenses/by/3.0/es/
Adreça de correu electrònic de l'autor: yannick.rosello@estudiants.urv.cat
Data d'alta del registre: 2024-07-27
Versió de l'article dipositat: info:eu-repo/semantics/publishedVersion
Enllaç font original: https://www.mdpi.com/1422-0067/22/19/10663
URL Document de llicència: https://repositori.urv.cat/ca/proteccio-de-dades/
Referència a l'article segons font original: International Journal Of Molecular Sciences. 22 (19):
Referència de l'ítem segons les normes 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
DOI de l'article: 10.3390/ijms221910663
Entitat: Universitat Rovira i Virgili
Any de publicació de la revista: 2021
Tipus de publicació: Journal Publications
Repositori URV