000132462 001__ 132462 000132462 005__ 20250923084445.0 000132462 0247_ $$2doi$$a10.1016/j.molstruc.2023.136746 000132462 0248_ $$2sideral$$a137598 000132462 037__ $$aART-2024-137598 000132462 041__ $$aeng 000132462 100__ $$aŠterbinská, Slavomíra 000132462 245__ $$aNeocuproine/nitrato complexes of Ni(II). Neutral and cationic species including salts with TCNQ: Preparation, chemical and spectroscopic properties and comparative structural chemistry 000132462 260__ $$c2024 000132462 5060_ $$aAccess copy available to the general public$$fUnrestricted 000132462 5203_ $$aThe cationic complex [Ni(neoc)2(NO3)]+ with NO3− (1), TCNQ− (3), or (TCNQ-TCNQ)2− (4) as counterions, and the neutral complex [Ni(neoc)([NO3]−-κ1O)([NO3]−-κ2O,O´)(H2O)] (2) can be obtained from different reactions involving Ni(II), neoc, NO3− and TCNQ. The molecular and extended crystal structure of compound 2, which displays two different coordination modes for NO3−, are compared to those of the analogous Mn, Fe and Co compounds, revealing a correlation between the coordination geometry of the nominally monodentate nitrato ligand and the covalent radius of the central metal atom. Despite the differences in molecular geometry, the extended structures of the Ni (2) and Mn compounds are similar to each other but different from those of the Fe and Co complexes, which are similar to each other. Complex 1 was further used in the preparation of a new heterospin compound [Ni(neoc)2(NO3)](TCNQ) (3), having an ionic structure with the same complex cation present in 1, accompanied by centrosymmetric anion-radicals (ARs) TCNQ•−. Through a different preparation process, complex 4, with the formula [Ni(neoc)2(NO3)]2(TCNQ-TCNQ), containing the same complex cation as in complexes 1 and 3, but now with the centrosymmetric σ-dimerized dianion (TCNQ-TCNQ)2− has been obtained. The influence of NO3−, TCNQ•− and TCNQ-TCNQ2− anions on the crystal structure of the cation [Ni(neoc)2(NO3)]+ in the compounds has been studied. All of the complexes reported here have supramolecular structures governed by hydrogen bonding systems, adding to their stability. 000132462 536__ $$9info:eu-repo/grantAgreement/ES/DGA/E11-20R$$9info:eu-repo/grantAgreement/ES/MICINN/PID2021-124880NB-I00 000132462 540__ $$9info:eu-repo/semantics/openAccess$$aby-nc-nd$$uhttp://creativecommons.org/licenses/by-nc-nd/3.0/es/ 000132462 590__ $$a4.7$$b2024 000132462 592__ $$a0.628$$b2024 000132462 591__ $$aCHEMISTRY, PHYSICAL$$b68 / 185 = 0.368$$c2024$$dQ2$$eT2 000132462 593__ $$aAnalytical Chemistry$$c2024$$dQ2 000132462 593__ $$aSpectroscopy$$c2024$$dQ2 000132462 593__ $$aOrganic Chemistry$$c2024$$dQ2 000132462 593__ $$aInorganic Chemistry$$c2024$$dQ2 000132462 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion 000132462 700__ $$aSmolko, Richard 000132462 700__ $$aCernák, Juraj 000132462 700__ $$aDušek, Michal 000132462 700__ $$0(orcid)0000-0002-0444-996X$$aFalvello, Larry R.$$uUniversidad de Zaragoza 000132462 700__ $$aTomás, Milagros 000132462 7102_ $$12010$$2760$$aUniversidad de Zaragoza$$bDpto. Química Inorgánica$$cÁrea Química Inorgánica 000132462 773__ $$g1295, 1 (2024), 136746 [14 pp.]$$pJ. mol. struct.$$tJOURNAL OF MOLECULAR STRUCTURE$$x0022-2860 000132462 8564_ $$s4727138$$uhttps://zaguan.unizar.es/record/132462/files/texto_completo.pdf$$yVersión publicada 000132462 8564_ $$s2513685$$uhttps://zaguan.unizar.es/record/132462/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada 000132462 909CO $$ooai:zaguan.unizar.es:132462$$particulos$$pdriver 000132462 951__ $$a2025-09-22-14:53:58 000132462 980__ $$aARTICLE