000048653 001__ 48653
000048653 005__ 20200221144326.0
000048653 0247_ $$2doi$$a10.1039/c5sc04287a
000048653 0248_ $$2sideral$$a94582
000048653 037__ $$aART-2016-94582
000048653 041__ $$aeng
000048653 100__ $$aAromí, G.
000048653 245__ $$aSnapshots of a solid-state transformation: Coexistence of three phases trapped in one crystal
000048653 260__ $$c2016
000048653 5060_ $$aAccess copy available to the general public$$fUnrestricted
000048653 5203_ $$aCrystal-to-crystal transformations have been crucial in the understanding of solid-state processes, since these may be studied in detail by means of single crystal X-ray diffraction (SCXRD) techniques. The description of the mechanisms and potential intermediates of those processes remains very challenging. In fact, solid-state transient states have rarely been observed, at least to a sufficient level of detail. We have investigated the process of guest extrusion from the non-porous molecular material Fe(bpp)(H2L)](ClO4)2·1.5C3H6O (bpp = 2,6-bis(pyrazol-3-yl)pyridine; H2L = 2,6-bis(5-(2-methoxyphenyl)-pyrazol-3-yl)pyridine; C3H6O = acetone), which occurs through ordered diffusion of acetone in a crystal-to-crystal manner, leading to dramatic structural changes. The slow kinetics of the transition allows thermal trapping of the system at various intermediate stages. The transiting single crystal can be then examined at these points through synchrotron SCXRD, offering a window upon the mechanism of the transformation at the molecular scale. These experiments have unveiled the development of an ordered intermediate phase, distinct from the initial and the final states, coexisting as the process advances with either of these two phases or, at a certain moment with both of them. The new intermediate phase has been structurally characterized in full detail by SCXRD, providing insights into the mechanism of this diffusion triggered solid-state phenomenon. The process has been also followed by calorimetry, optical microscopy, local Raman spectroscopy and powder X-ray diffraction. The discovery and description of an intermediate ordered state in a molecular solid-state transformation is of great interest and will help to understand the mechanistic details and reaction pathways underlying these transformations.
000048653 536__ $$9info:eu-repo/grantAgreement/ES/MICINN/MAT2011-24284$$9info:eu-repo/grantAgreement/ES/MINECO/CTQ2012-32247$$9info:eu-repo/grantAgreement/ES/MINECO/CTQ-2014-59209-P
000048653 540__ $$9info:eu-repo/semantics/openAccess$$aby$$uhttp://creativecommons.org/licenses/by/3.0/es/
000048653 590__ $$a8.668$$b2016
000048653 591__ $$aCHEMISTRY, MULTIDISCIPLINARY$$b17 / 166 = 0.102$$c2016$$dQ1$$eT1
000048653 592__ $$a4.516$$b2016
000048653 593__ $$aChemistry (miscellaneous)$$c2016$$dQ1
000048653 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000048653 700__ $$aBeavers, C.M.
000048653 700__ $$aSánchez Costa, J.
000048653 700__ $$aCraig, G.A.
000048653 700__ $$aMínguez Espallargas, G.
000048653 700__ $$0(orcid)0000-0001-8751-0983$$aOrera, A.
000048653 700__ $$0(orcid)0000-0003-2095-5843$$aRoubeau, O.$$uUniversidad de Zaragoza
000048653 7102_ $$12003$$2395$$aUniversidad de Zaragoza$$bDpto. Física Materia Condensa.$$cÁrea Física Materia Condensada
000048653 773__ $$g7, 4 (2016), 2907-2915$$pChem. sci.$$tCHEMICAL SCIENCE$$x2041-6520
000048653 8564_ $$s2449248$$uhttps://zaguan.unizar.es/record/48653/files/texto_completo.pdf$$yVersión publicada
000048653 8564_ $$s112914$$uhttps://zaguan.unizar.es/record/48653/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
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000048653 951__ $$a2020-02-21-13:43:48
000048653 980__ $$aARTICLE