Structural diversity of hydrogen-bonded 4-aryl-3, 5-dimethylpyrazoles for supramolecular materials

Moyano S. ; Diosdado B. ; San Felices L. ; Elduque A. (Universidad de Zaragoza) ; Giménez R.

Resumen: The 1H-pyrazoles have high versatility and ability to form hydrogen-bonded supramolecu-lar materials. In this study, the thermal stability, fluorescence, and H-bonding ability of the studied 3, 5-dimethyl-4-(4-X-phenyl)-1H-pyrazoles showed large differences depending on the terminal sub-stituent. Supramolecular structures were analyzed using X-ray diffraction and Hirshfeld surface calculations. Compounds were found to arrange in different hydrogen-bonded structures, depending on the substitution at the para position of the phenyl ring (X = OCH3, NO2, NH2 ). The methoxy-substituted compounds arranged in dimers through methanol bridges, the nitro-substituted compound formed supramolecular polymers or catemers, and the amino-substituted compound gave rise to a new structure based on a 2D hydrogen-bonded network.

Idioma: Inglés

DOI: 10.3390/ma14164550

Año: 2021

Publicado en: Materials 14, 16 (2021), 4550 [14 pp.]
ISSN: 1996-1944

Factor impacto JCR: 3.748 (2021)

Categ. JCR: METALLURGY & METALLURGICAL ENGINEERING rank: 18 / 79 = 0.228 (2021) - Q1 - T1
Categ. JCR: PHYSICS, CONDENSED MATTER rank: 28 / 69 = 0.406 (2021) - Q2 - T2
Categ. JCR: PHYSICS, APPLIED rank: 56 / 161 = 0.348 (2021) - Q2 - T2
Categ. JCR: MATERIALS SCIENCE, MULTIDISCIPLINARY rank: 177 / 344 = 0.515 (2021) - Q3 - T2
Categ. JCR: CHEMISTRY, PHYSICAL rank: 85 / 165 = 0.515 (2021) - Q3 - T2

Factor impacto CITESCORE: 4.7 - Materials Science (Q2)

Factor impacto SCIMAGO: 0.604 - Materials Science (miscellaneous) (Q2) - Condensed Matter Physics (Q2)

Financiación: info:eu-repo/grantAgreement/ES/DGA/E47-20R
Financiación: info:eu-repo/grantAgreement/ES/DGA/E50-20D
Financiación: info:eu-repo/grantAgreement/ES/MCIU-FEDER/PGC2018-093761-B-C31
Financiación: info:eu-repo/grantAgreement/ES/MICIU-FEDER/CTQ2017-83421-P

Tipo y forma: Artículo (Versión definitiva)

Área (Departamento): Área Química Inorgánica (Dpto. Química Inorgánica)