000125367 001__ 125367
000125367 005__ 20240319081031.0
000125367 0247_ $$2doi$$a10.1107/S2053273322098667
000125367 0248_ $$2sideral$$a133099
000125367 037__ $$aART-2022-133099
000125367 041__ $$aeng
000125367 100__ $$0(orcid)0000-0002-0444-996X$$aFalvello, L.$$uUniversidad de Zaragoza
000125367 245__ $$aTwo Jahn–Teller systems involved in different kinds of crystal-to-crystal transformations
000125367 260__ $$c2022
000125367 5060_ $$aAccess copy available to the general public$$fUnrestricted
000125367 5203_ $$aTwo molecular-crystal solids with Jahn-Teller active Cu(II) centers undergo crystal-to-crystal transformations by different routes. The first example is a coordination copolymer with alternating Co and Cu centers along the polymer chain, and with a charge of (+1) for each link in the chain. Charge is balanced by an anion whose composition is identical to the Cocentered link of the copolymer. The overall composition can be described as {[Co(orot)2(bpy)][μCu(bpy)(H2O)]}n[Co(orot)2(bpy)]n‧5nH2O, 1, in which H2orot is orotic acid, C5H4N2O4. With gentle heating in dry nitrogen gas, crystals of this compound undergo a chemical reaction in which the anion is incorporated into the polymer as a metalloligand with one oxygen atom of the original anion substituting an aqua ligand on the Cu center of the polymer. Structure analysis at intermediate stages of the process indicate that substitution occurs by an associative mechanism. The second example involves a Jahn-Teller intermediate, formed in solution and isolable as a crystalline precipitate, which when left in contact with the reaction mixture undergoes a solvent mediated crystal-to-crystal transformation in which the two axial ligands involved in Jahn-Teller elongation are lost. The intermediate Cs2[transCu(orot)2(H2O)2]∙4H2O, 2, proceeds to the simple square-planar final product, Cs2[trans-Cu(orot)2]∙3H2O, 3. It is noted that the nickel-centered analogue of compound 2 does not undergo further transformation to a square-planar product.
000125367 540__ $$9info:eu-repo/semantics/openAccess$$aby$$uhttp://creativecommons.org/licenses/by/3.0/es/
000125367 590__ $$a1.8$$b2022
000125367 592__ $$a0.941$$b2022
000125367 591__ $$aCHEMISTRY, MULTIDISCIPLINARY$$b123 / 178 = 0.691$$c2022$$dQ3$$eT3
000125367 593__ $$aInorganic Chemistry$$c2022$$dQ1
000125367 591__ $$aCRYSTALLOGRAPHY$$b15 / 26 = 0.577$$c2022$$dQ3$$eT2
000125367 593__ $$aPhysical and Theoretical Chemistry$$c2022$$dQ1
000125367 593__ $$aCondensed Matter Physics$$c2022$$dQ1
000125367 593__ $$aMaterials Science (miscellaneous)$$c2022$$dQ1
000125367 593__ $$aStructural Biology$$c2022$$dQ2
000125367 593__ $$aBiochemistry$$c2022$$dQ2
000125367 594__ $$a3.6$$b2022
000125367 655_4 $$ainfo:eu-repo/semantics/conferenceObject$$vinfo:eu-repo/semantics/publishedVersion
000125367 700__ $$aBasdouri, Z.
000125367 700__ $$aDobrinovitch, I. T.$$uUniversidad de Zaragoza
000125367 700__ $$aGraia, M.
000125367 700__ $$aTomás, M.
000125367 7102_ $$12010$$2760$$aUniversidad de Zaragoza$$bDpto. Química Inorgánica$$cÁrea Química Inorgánica
000125367 773__ $$gA78 (2022), a133 [1 p.]$$pActa crystallogr., A Found. & adv.$$tActa Crystallographica A-Foundation and Advances$$x2053-2733
000125367 8564_ $$s944102$$uhttps://zaguan.unizar.es/record/125367/files/texto_completo.pdf$$yVersión publicada
000125367 8564_ $$s1962409$$uhttps://zaguan.unizar.es/record/125367/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000125367 909CO $$ooai:zaguan.unizar.es:125367$$particulos$$pdriver
000125367 951__ $$a2024-03-18-17:09:32
000125367 980__ $$aARTICLE