000128078 001__ 128078 000128078 005__ 20241125101145.0 000128078 0247_ $$2doi$$a10.1021/acs.cgd.3c00160 000128078 0248_ $$2sideral$$a135294 000128078 037__ $$aART-2023-135294 000128078 041__ $$aeng 000128078 100__ $$aŠterbinská, Slavomíra 000128078 245__ $$aAn 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 000128078 260__ $$c2023 000128078 5060_ $$aAccess copy available to the general public$$fUnrestricted 000128078 5203_ $$aDetailed 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. 000128078 536__ $$9info:eu-repo/grantAgreement/ES/DGA/E11-20R$$9info:eu-repo/grantAgreement/ES/DGA/M4$$9info:eu-repo/grantAgreement/ES/MICINN/PID2021-124880NB-I00 000128078 540__ $$9info:eu-repo/semantics/openAccess$$aby$$uhttp://creativecommons.org/licenses/by/3.0/es/ 000128078 590__ $$a3.2$$b2023 000128078 592__ $$a0.649$$b2023 000128078 591__ $$aCRYSTALLOGRAPHY$$b5 / 33 = 0.152$$c2023$$dQ1$$eT1 000128078 593__ $$aChemistry (miscellaneous)$$c2023$$dQ2 000128078 591__ $$aCHEMISTRY, MULTIDISCIPLINARY$$b97 / 231 = 0.42$$c2023$$dQ2$$eT2 000128078 593__ $$aMaterials Science (miscellaneous)$$c2023$$dQ2 000128078 591__ $$aMATERIALS SCIENCE, MULTIDISCIPLINARY$$b201 / 439 = 0.458$$c2023$$dQ2$$eT2 000128078 593__ $$aCondensed Matter Physics$$c2023$$dQ2 000128078 594__ $$a6.3$$b2023 000128078 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion 000128078 700__ $$aHolub, Mariia 000128078 700__ $$aCižmár, Erik 000128078 700__ $$aCernák, Juraj 000128078 700__ $$0(orcid)0000-0002-0444-996X$$aFalvello, Lawrence Rocco$$uUniversidad de Zaragoza 000128078 700__ $$aTomás, Milagros 000128078 7102_ $$12010$$2760$$aUniversidad de Zaragoza$$bDpto. Química Inorgánica$$cÁrea Química Inorgánica 000128078 773__ $$g23, 6 (2023), 4357-4369$$pCryst. growth des.$$tCRYSTAL GROWTH & DESIGN$$x1528-7483 000128078 8564_ $$s7612776$$uhttps://zaguan.unizar.es/record/128078/files/texto_completo.pdf$$yVersión publicada 000128078 8564_ $$s2772176$$uhttps://zaguan.unizar.es/record/128078/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada 000128078 909CO $$ooai:zaguan.unizar.es:128078$$particulos$$pdriver 000128078 951__ $$a2024-11-22-12:04:14 000128078 980__ $$aARTICLE