128078 20241125101145.0 doi 10.1021/acs.cgd.3c00160 sideral 135294 ART-2023-135294 eng Šterbinská, Slavomíra An Old Crystallization Technique as a Fast, Facile, and Adaptable Method for Obtaining Single Crystals of Unstable “Li2TCNQF4” and New Compounds of TCNQ or TCNQF4: Syntheses, Crystal Structures, and Magnetic Properties 2023 Access copy available to the general public Unrestricted Detailed structural information is essential for understanding the properties of TCNQ and TCNQF4 compounds (TCNQ = 7,7,8,8-tetracyanoquinodimethane; TCNQF4 = 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane). The ineludible requirement of obtaining crystals of a size and quality sufficient to yield a successful X-ray diffraction analysis has been challenging to satisfy because of the instability of many of these compounds in solution. Crystals of two new complexes of TCNQ, [trans-M(2ampy)2(TCNQ)2] [M = Ni (1), Zn (2); 2ampy = 2-aminomethylpyridine], as well as unstable [Li2(TCNQF4)(CH3CN)4]·CH3CN (3), can be prepared in minutes by a horizontal diffusion technique and can be harvested easily for X-ray structural studies. Compound 3, previously described as “Li2TCNQF4,” forms a one-dimensional (1D) ribbon. Compounds 1 and 2 can also be obtained as microcrystalline solids from methanolic solutions of MCl2/LiTCNQ/2ampy. Their variable-temperature magnetic studies confirmed a contribution of strongly antiferromagnetically coupled pairs of TCNQ•─ anion radicals at higher temperatures with exchange coupling J/kB = −1206 K and J/kB = −1369 K for 1 and 2, respectively, estimated using a spin dimer model. The presence of magnetically active anisotropic Ni(II) atoms with S = 1 in 1 was confirmed, and the magnetic behavior of 1, representing an infinite chain of alternating S = 1 sites and S = 1/2 dimers, was described by a spin-ring model suggesting ferromagnetic exchange coupling between Ni(II) sites and anion radicals. info:eu-repo/grantAgreement/ES/DGA/E11-20R info:eu-repo/grantAgreement/ES/DGA/M4 info:eu-repo/grantAgreement/ES/MICINN/PID2021-124880NB-I00 info:eu-repo/semantics/openAccess by http://creativecommons.org/licenses/by/3.0/es/ 3.2 2023 CRYSTALLOGRAPHY 5 / 33 = 0.152 2023 Q1 T1 CHEMISTRY, MULTIDISCIPLINARY 97 / 231 = 0.42 2023 Q2 T2 MATERIALS SCIENCE, MULTIDISCIPLINARY 201 / 439 = 0.458 2023 Q2 T2 0.649 2023 Chemistry (miscellaneous) 2023 Q2 Materials Science (miscellaneous) 2023 Q2 Condensed Matter Physics 2023 Q2 6.3 2023 info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Holub, Mariia Cižmár, Erik Cernák, Juraj Falvello, Lawrence Rocco Universidad de Zaragoza (orcid)0000-0002-0444-996X Tomás, Milagros 2010 760 Universidad de Zaragoza Dpto. Química Inorgánica Área Química Inorgánica 23, 6 (2023), 4357-4369 Cryst. growth des. CRYSTAL GROWTH & DESIGN 1528-7483 7612776 http://zaguan.unizar.es/record/128078/files/texto_completo.pdf Versión publicada 2772176 http://zaguan.unizar.es/record/128078/files/texto_completo.jpg?subformat=icon icon Versión publicada oai:zaguan.unizar.es:128078 articulos driver 2024-11-22-12:04:14 ARTICLE