Misturini, Alechania; Rey Garcia, Fernando; SASTRE NAVARRO, GERMAN IGNACIO(American Chemical Society, 2022-10-20)
[EN] LTA and CHA zeolites with silica and silico-alumino-phosphate (SAPO) composition have been recently proposed by Van der Perre et al.1 to recover butanol from a mixture of butanol, ethanol, acetone and water. Such ...
Liu, Ying-Ya; Grzywa, Maciej; Tonigold, Markus; Sastre Navarro, German Ignacio; Schuettrigkeit, Tanja; Leeson, Nicholas S.; Volkmer, Dirk(Royal Society of Chemistry, 2011)
The syntheses of Kuratowski-type pentanuclear clusters featuring {MZn4Cl4} cores (M-II = Ru or Zn) that incorporate triazolate ligands are described. The coordination compounds are characterized by single-crystal X-ray ...
Toda Calderón, Jordi(Universitat Politècnica de València, 2018-03-22)
En las últimas décadas, la aprobación de nuevas leyes medioambientales ha obligado a la industria petroquimica a adaptarse mediante el uso de sustancias menos nocivas para el medio ambiente. La necesidad de reciclar ...
Gomez, Diego Armando; Toda-Calderón, Jordi; Sastre Navarro, German Ignacio(Royal Society of Chemistry, 2014)
[EN] Computational screening throughout a database containing similar to 138000 metal-organic frameworks (MOFs) has been performed to select candidate structures for hydrogen storage. A total of 231 structures (of which ...
Sastre Navarro, German Ignacio; Cantin Sanz, Angel; Díaz Cabañas, Mª José; Corma Canós, Avelino(American Chemical Society, 2005)
[EN] Molecular mechanics techniques and the use of atomic force fields have been used to calculate the energy of the system zeolite + structure directing agent (SDA), as well as the different energetic terms with their ...
[EN] Extra-large pore zeolites are a small subset (21) among the whole list of 253 zeolites available. The discovery of new low-glycemic sugars is very attractive as new healthy additives in the food field. This is the ...
De Santana Oliveira, Artur; Rivero-Buceta, Eva María; Vidaurre-Agut, Carla; Misturini, Alechania; Moreno, Victoria; Jorda Moret, Jose Luis; SASTRE NAVARRO, GERMAN IGNACIO; Castella Pergher, Sibele Berenice; BOTELLA ASUNCION, PABLO(Elsevier, 2020-12)
[EN] Post-synthetic modification of covalent organic frameworks (COFs) is strongly demanded in order to provide additional functionalities to their structures. However, the introduction of functional groups during the ...
Ghysels, A.; Moors, S.L.C.; Hemelsoet, K.; De Wispelaere, K.; Waroquier, M.; Sastre Navarro, German Ignacio; Van Speybroeck, V.(American Chemical Society, 2015-10-15)
[EN] The diffusion of olefins through 8-ring solid acid microporous zeolites is investigated using molecular dynamics simulations techniques and using a newly developed flexible force field. Within the context of the ...
Combariza, Aldo F.; Gomez, Diego A.; Sastre Navarro, German Ignacio(Royal Society of Chemistry, 2013)
[EN] Despite the sustained use of forcefield methodologies to study SiO2 polymorphs few reviews on the subject are available in the literature. The present study is an attempt to help fill this gap, focusing on classical ...
León Rubio, Santiago(Universitat Politècnica de València, 2023-11-06)
[ES] Las zeolitas son un material de aluminiosilicatos cristalinos microporosos extensivamente utilizados como catalizadores y tamices moleculares involucrados en procesos de separación. La mayoría de estos materiales son ...
Sierra, Sonia; Gomez, M. Victoria; Jimenez, Ana I.; Pop, Alexandra; Silvestru, Cristian; Marín García, Mª Luisa; Bosca Mayans, Francisco; SASTRE NAVARRO, GERMAN IGNACIO; Gomez-Bengoa, Enrique; Urriolabeitia, Esteban P.(American Chemical Society, 2022-03-04)
[EN] The irradiation of (Z)-2-phenyl-4-aryliden-5(4H)-oxazolones 1 in deoxygenated CH2Cl2 at 25 degrees C with blue light (465 nm) in the presence of [Ru(bpy)(3)](BF4)(2) (5% mole ratio) as a triplet photocatalyst promotes ...
Andreu Ros, María Inmaculada; Morera Bertomeu, Isabel María; Palumbo, Fabrizio; Sastre Navarro, German Ignacio; Bosca Mayans, Francisco; Miranda Alonso, Miguel Ángel(Royal Society of Chemistry: Chemical Science, 2015)
he influence of non-covalent σ–π orbital interactions on triplet–triplet energy transfer (TTET) through tuning of the donor excitation energy remains basically unexplored. In the present work, we have investigated ...
The combination of different experimental techniques, such as solid C-13 and H-1 magic-angle spinning NMR spectroscopy, fluorescence spectroscopy and powder X-ray diffraction, together with theoretical calculations allows ...
Jorda Moret, Jose Luis; Rey Garcia, Fernando; Sastre Navarro, German Ignacio; Valencia Valencia, Susana; Palomino Roca, Miguel; Corma Canós, Avelino; Segura Garcia del Rio, Alfredo; Errandonea, Daniel; Lacomba Perales, Raúl; Manjón Herrera, Francisco Javier; Gomis Hilario, Oscar; Kleppe, Annette K.; Jephcoat, Andrew P.; Amboage, Mónica; Rodríguez-Velamazán, J. Alberto(Wiley-VCH Verlag, 2013-09)
The first pressure-induced solid-phase synthesis of a zeolite has been found through compression of a common zeolite, ITQ-29 (see scheme, Si yellow, O red). The new microporous structure, ITQ-50, has a unique structure and ...
Boruntea, Cristian-R.; SASTRE NAVARRO, GERMAN IGNACIO; Lundegaard, Lars F.; Corma Canós, Avelino; Vennestrom, Peter N. R.(American Chemical Society, 2019-11-26)
[EN] A hypothetical zeolite framework was selected from a database of hypothetical structures and adapted based on the structural features relevant for deNOx and MTO catalysis. To attempt the realization of this structure, ...
Moliner Marin, Manuel; Serna Merino, Pedro Manuel; Cantin Sanz, Angel; Sastre Navarro, German Ignacio; Díaz Cabañas, Mª José; Corma Canós, Avelino(American Chemical Society, 2008)
[EN] The K(+) free pure silica form of polymorph C (BEC) of beta-zeolite has been synthesized with a cationic organic structure directing agent (SDA) that was predicted best, out of a series of nine potentials, by means ...
The database of prospective zeolites (www.
hypotheticalzeolites.net) has been screened in search
of feasible zeolites. Previous criteria of zeolite feasibil-
ity have been reviewed, based on descriptors such as
energy, ...
Rodríguez Muñiz, Gemma María; Gómez-Mendoza, Miguel; Miró, Paula; García-Orduña, Pilar; SASTRE NAVARRO, GERMAN IGNACIO; Miranda Alonso, Miguel Ángel; Marín García, Mª Luisa(American Chemical Society, 2022-09-02)
[EN] Photosensitized thymine<>thymine (Thy<>Thy) formation and repair can be mediated by carbazole (Cbz). The former occurs from the Cbz triplet excited state via energy transfer, while the latter takes place from the ...
Miró Richart, Paula; Vayá Pérez, Ignacio; Sastre Navarro, German Ignacio; Jiménez Molero, María Consuelo; Marín García, Mª Luisa; Miranda Alonso, Miguel Ángel(Royal Society of Chemistry, 2016)
[EN] Through-bond triplet exciplex formation in donor-acceptor systems linked through a rigid bile acid scaffold has been demonstrated on the basis of kinetic evidence upon population of the triplet acceptors (naphthalene, ...
Sastre Navarro, German Ignacio; van den Bergh, Johan; Kapteijn, Freek; Denysenko, Dmytro; Volkmer, Dirk(Royal Society of Chemistry, 2014)
The metal-organic framework MFU-4 shows preferential adsorption of CO2 over N-2. This cannot be explained in terms of pore size only. Computational modelling suggests that the unique structure and flexibility of its small ...