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Keywords = dehydration of lamellar solids

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14 pages, 3037 KB  
Article
A Lamellar Zn-Based Coordination Polymer Showing Increasing Photoluminescence upon Dehydration
by Oier Pajuelo-Corral, Jose Angel García, Oscar Castillo, Antonio Luque, Claudio Mendicute-Fierro, Antonio Rodríguez-Diéguez and Javier Cepeda
Molecules 2023, 28(15), 5643; https://doi.org/10.3390/molecules28155643 - 25 Jul 2023
Cited by 2 | Viewed by 1709
Abstract
The present study reports on a 2D lamellar coordination polymer (CP) of {[Zn(µ3-pmdc)(H2O)]·H2O}n formula (pmdc = pyrimidine-4,6-dicarboxylate). This CP is synthesized under an appropriate acid-base reaction between the gently mortared reagents in the solid state through [...] Read more.
The present study reports on a 2D lamellar coordination polymer (CP) of {[Zn(µ3-pmdc)(H2O)]·H2O}n formula (pmdc = pyrimidine-4,6-dicarboxylate). This CP is synthesized under an appropriate acid-base reaction between the gently mortared reagents in the solid state through a solvent-free procedure that avoids the presence of concomitant byproducts. The X-ray crystal structure reveals the occurrence of Zn2 entities connected through carboxylate groups of pmdc, which behave as triconnected nodes, giving rise to six-membered ring-based layers that are piled up through hydrogen bonding interactions. In addition to a routine physico-chemical characterization, the thermal evolution of the compound has been studied by combining thermogravimetric and thermodiffractometric data. The photoluminescence properties are characterized in the solid state and the processes governing the spectra are described using time-dependent density-functional theory (TD-DFT) with two different approaches employing different program packages. The emissive capacity of the material is further analyzed according to the dehydration and decreasing temperature of the polycrystalline sample. Full article
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15 pages, 981 KB  
Article
Dehydration Process of Hofmann-Type Layered Solids
by Omar Reyes-Martinez, Enelio Torres-García, Geonel Rodríguez-Gattorno and Edilso Reguera
Materials 2013, 6(4), 1452-1466; https://doi.org/10.3390/ma6041452 - 9 Apr 2013
Cited by 17 | Viewed by 6319
Abstract
In the present work the dehydration process of layered solids with formula unit M(H2O)2[Ni(CN)4nH2O, M = Ni, Co, Mn; n = 1, 2, 4 is studied using modulated thermogravimetry. The results show that [...] Read more.
In the present work the dehydration process of layered solids with formula unit M(H2O)2[Ni(CN)4nH2O, M = Ni, Co, Mn; n = 1, 2, 4 is studied using modulated thermogravimetry. The results show that water molecules need to overcome an energetic barrier (activation energy between 63 and 500 kJ/mol) in order to diffuse through the interlayer region. The related kinetic parameters show a dependence on the water partial pressure. On the other hand, X-ray diffraction results provide evidence that the dehydration process is accompanied by framework collapse, limiting the structural reversibility, except for heating below 80 °C where the ordered structure remains. Removal of water molecules from the interlayer region disrupts the long-range structural order of the solid. Full article
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