Registro completo de metadatos
| Campo DC | Valor | Lengua/Idioma |
|---|---|---|
| dc.creator | Granifo, Juan | - |
| dc.creator | Westermeyer, Marleen | - |
| dc.creator | Riquelme, Maricel | - |
| dc.creator | Gaviño, Rubén | - |
| dc.creator | Suarez, Sebastian | - |
| dc.creator | Halac, Emilia Beatriz | - |
| dc.creator | Baggio, Ricardo Fortunato | - |
| dc.date | 2019-02-15T16:02:53Z | - |
| dc.date | 2019-02-15T16:02:53Z | - |
| dc.date | 2015-11 | - |
| dc.date | 2019-02-15T14:38:42Z | - |
| dc.date.accessioned | 2019-04-29T15:57:12Z | - |
| dc.date.available | 2019-04-29T15:57:12Z | - |
| dc.identifier | Granifo, Juan; Westermeyer, Marleen; Riquelme, Maricel; Gaviño, Rubén; Suarez, Sebastian; et al.; A temperature-induced order-disorder phase transition in a 4-substituted 4,2′:6′,4′′-terpyridine; International Union of Crystallography; Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials; 71; 11-2015; 805-813 | - |
| dc.identifier | 2052-5206 | - |
| dc.identifier | http://hdl.handle.net/11336/70268 | - |
| dc.identifier | CONICET Digital | - |
| dc.identifier | CONICET | - |
| dc.identifier.uri | http://rodna.bn.gov.ar:8080/jspui/handle/bnmm/306099 | - |
| dc.description | Crystals of 4′-(isoquinolin-4-yl)-4,2′:6′,4′′-terpyridine (iqtp), C24H16N4, grown from an ethanol solution, undergo a reversible first-order single-crystal to single-crystal phase transition at T c in the range 273-275K, from a disordered higher-temperature phase [form (I)] in the space group P21/c, with one single molecule in the asymmetric unit, to an ordered lower-temperature one [form (II)] in the space group P21/n, with two independent molecules in the asymmetric unit. There is a group-subgroup relationship linking (I)-(II), due to cell doubling and the disappearance of a number of symmetry operations. In addition to X-ray diffraction, the transition has been monitored by Raman spectroscopy and differential scanning calorimetry, the latter disclosing an enthalpy change of 0.72(6)kJmol-1. Variations of the unit-cell parameters with temperature between 170 and 293K are presented. The evolution of diffraction spots in the vicinity of the transition temperature shows the coexistence of both phases, confirming the first-order character of the transition. Structural details of both phases are analyzed and intermolecular interactions compared in order to investigate the mechanism of the phase transition. A three-dimensional Hirshfeld surface analysis was performed to corroborate the significant changes in the intermolecular features. | - |
| dc.description | Fil: Granifo, Juan. Universidad de La Frontera; Chile | - |
| dc.description | Fil: Westermeyer, Marleen. Universidad de La Frontera; Chile | - |
| dc.description | Fil: Riquelme, Maricel. Universidad de La Frontera; Chile | - |
| dc.description | Fil: Gaviño, Rubén. Universidad Nacional Autónoma de México; México | - |
| dc.description | Fil: Suarez, Sebastian. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina | - |
| dc.description | Fil: Halac, Emilia Beatriz. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Universidad Nacional de San Martín; Argentina | - |
| dc.description | Fil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.language | eng | - |
| dc.publisher | International Union of Crystallography | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/doi/https://dx.doi.org/10.1107/S205252061501937X | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/url/http://scripts.iucr.org/cgi-bin/paper?S205252061501937X | - |
| dc.rights | info:eu-repo/semantics/restrictedAccess | - |
| dc.rights | https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ | - |
| dc.source | reponame:CONICET Digital (CONICET) | - |
| dc.source | instname:Consejo Nacional de Investigaciones Científicas y Técnicas | - |
| dc.source | instacron:CONICET | - |
| dc.subject | FIRST ORDER | - |
| dc.subject | LIGAND PROPERTIES | - |
| dc.subject | ORDER-DISORDER | - |
| dc.subject | PHASE TRANSITION | - |
| dc.subject | WEAK INTERACTIONS | - |
| dc.subject | Otras Ciencias Químicas | - |
| dc.subject | Ciencias Químicas | - |
| dc.subject | CIENCIAS NATURALES Y EXACTAS | - |
| dc.title | A temperature-induced order-disorder phase transition in a 4-substituted 4,2′:6′,4′′-terpyridine | - |
| dc.type | info:eu-repo/semantics/article | - |
| dc.type | info:eu-repo/semantics/publishedVersion | - |
| dc.type | info:ar-repo/semantics/articulo | - |
| Aparece en las colecciones: | CONICET | |
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