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Browsing by Subject "Cations"

Now showing items 1-13 of 13

[Cr(phen)(ox)2]-: A versatile Bis-Oxalato Building for the Design of Heteropolymetallic System. Crystal Structures and Magnetic Properties of AsPh4[Cr(phen)(ox)2].H2O, [NaCr(phen)(ox)2(H2O)].H2O abd {[Cr(phen)(ox)2]2[Mn2(bipy)2(H2O)2(ox)]}.6H2O

Marinescu, G.; Andruh, M.; Lescouëzec, R.; Muñoz Roca, María Del Carmen; Cano, J.; Lloret, F.; Julve, M. (The Royal Society of Chemistry, 2000-07)

[EN] The new complexes of formula AsPh4[Cr(phen)(ox)(2)] . H2O (1), [NaCr(phen)(ox)(2)(H2O)] . 2H(2)O (2) and {[Cr(phen)(ox)(2)](2)[Mn-2(bpy)(2)(H2O)(2)(ox)]} . 6H(2)O (3) (AsPh4 = tetraphenylarsonium cation; phen = ...
Characterization and Decomposition of the Natural van der Waals SnSb2Te4 under Compression

Sans-Tresserras, Juan Ángel; Vilaplana Cerda, Rosario Isabel; Da Silva, E. Lora; Popescu, Catalin; Cuenca-Gotor, Vanesa Paula; Andrada-Chacón, Adrián; Sánchez-Benitez, Javier; Gomis, O.; Pereira, André L. J.; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Daisenberger, Dominik; García-Domene, Braulio; Segura, Alfredo; Errandonea, Daniel; Manjón, Francisco-Javier (American Chemical Society, 2020-07-20)

[EN] High pressure X-ray diffraction, Raman scattering, and electrical measurements, together with theoretical calculations, which include the analysis of the topological electron density and electronic localization function, ...
Compressibility systematics of calcite-type borates : An experimental and theoretical structural study on ABO3 (A = Al, Sc, Fe and In)

Santamaría Pérez, David; Gomis Hilario, Oscar; Sans, Juan Ángel; Ortiz, H. M.; Vegas, Ángel; Errandonea, Daniel; Ruiz-Fuertes, Javier; Martínez-García, Domingo; García-Domene, B.; Pereira, ALJ; Manjón Herrera, Francisco Javier; Rodríguez-Hernández, Placida; Muñoz, A.; Piccinelli, F.; Bettinelli, M.; Popescu, C. (American Chemical Society, 2014-02-27)

The structural properties of calcite-type orthoborates ABO(3) (A = Al, Fe, Sc, and In) have been investigated at high pressures up to 32 GPa. They were studied experimentally using synchrotron powder X-ray diffraction and ...
Compression of Silver Sulfide: X-ray Diffraction Measurements and Total-Energy Calculations

Gomis Hilario, Oscar; Santamaria Pérez, David; Chuliá-Jordaán, Raquel; Marqués, Míriam; Menendez, José M.; Ruiz-Fuertes, Javier; Sans, Juan A.; Errandonea, Daniel; Recio, José Manuel (American Chemical Society, 2012-04-24)

[EN] Angle-dispersive X-ray diffraction measurements have been performed in acanthite, Ag2S, up to 18 GPa in order to investigate its high-pressure structural behavior. They have been complemented by ab initio electronic ...
Crystal structure of sinhalite MgAlBO4 under high pressure

Santamaría Pérez, David; Errandonea, Daniel; Gomis, O.; Sans Tresserras, Juan Ángel; Pereira, A. L. J.; Manjón Herrera, Francisco Javier; Popescu, Catalin; Rodríguez Hernández, Plácida; Muñoz, Alfonso (American Chemical Society, 2015-03-26)

We report on high-pressure angle-dispersive X-ray diffraction data up to 27 GPa for natural MgAlBO4 sinhalite mineral and ab initio total energy calculations. The experimental bulk modulus of sinhalite is B-0 = 171(3) GPa ...
Effect of Framework Composition and NH3 on the Diffusion of Cu+ in Cu-CHA Catalysts Predicted by Machine-Learning Accelerated Molecular Dynamics

Millán-Cabrera, Reisel; Bello-Jurado, Estefanía; Moliner Marin, Manuel; Boronat Zaragoza, Mercedes; Gomez-Bombarelli, Rafael (American Chemical Society, 2023-10-18)

[EN] Cu-exchanged zeolites rely on mobile solvated Cu+ cations for their catalytic activity, but the role of the framework composition in transport is not fully understood. Ab initio molecular dynamics simulations can ...
Gated Silica Mesoporous Materials in Sensing Applications

Sancenón Galarza, Félix; Pascual, Lluís; Oroval, Mar; Aznar Gimeno, Elena; Martínez-Máñez, Ramón (Wiley Open Access, 2015-08)

[EN] Silica mesoporous supports (SMSs) have a large specific surface area and volume and are particularly exciting vehicles for delivery applications. Such container-like structures can be loaded with numerous different ...
High-pressure study of the behavior of mineral barite by X-ray diffraction

Santamaría-Pérez, D.; Gracia, L.; Garbarino, G.; Beltrán, A.; Chuliá-Jordán, R.; Gomis Hilario, Oscar; Errandonea, D.; Ferrer-Roca, Ch.; Martínez-García, D.; Segura, A. (American Physical Society, 2011-08-02)

In this paper, we report the angle-dispersive x-ray diffraction data of barite, BaSO 4, measured in a diamond-anvil cell up to a pressure of 48 GPa, using three different fluid pressure-transmitting media (methanol-ethanol ...
Responses to environmental stress in plants adapted to Mediterranean gypsum habitats

Llinares Palacios, Josep Vicent; Bautista Carrascosa, Inmaculada; Donat-Torres, María P.; Lidón, A.; Lull Noguera, Cristina; Mayoral García-Berlanga, Olga; Wankhade, Shantanu Devidas; Boscaiu, Mónica; Vicente, Óscar (Academic Press, 2015)

[EN] Gypsum areas are stressful environments inhabited by gypsophytes, plants that are exclusive for such habitats, and by plants that grow on gypsum but also on other soil types, the so-called gypsovags. To investigate ...
Silica nanoparticles functionalised with cation coordination sites and fluorophores for the differential sensing of anions in a quencher displacement assay (QDA)

Calero Rodríguez, María del Pilar; Hecht, Mandy; Martínez Mañez, Ramón; Sancenón Galarza, Félix; Soto Camino, Juan; Vivancos, José-Luís; Rurack, Knut (Royal Society of Chemistry, 2011)

In conjunction with quenching metal ions, silica nanoparticles carrying terpyridine coordination sites and sulforhodamine B signalling units were employed for the differential fluorometric recognition of anions. © 2011 The ...
Structural and Lattice-Dynamical Properties of Tb2O3 under Compression: A Comparative Study with Rare Earth and Related Sesquioxides

IBAÑEZ, JORDI; Sans-Tresserras, Juan Ángel; Cuenca-Gotor, Vanesa Paula; OLIVA, R.; Gomis, O.; Rodríguez-Hernández, Plácida; MUÑOZ, A.; Rodriguez-Mendoza, U.R.; Velazquez, M.; Veber, P.; Popescu, Catalin; Manjón, Francisco-Javier (American Chemical Society, 2020-07-20)

[EN] We report a joint experimental and theoretical investigation of the high pressure structural and vibrational properties of terbium sesquioxide (Tb2O3). Powder X-ray diffraction and Raman scattering measurements show ...
Synthesis and structure determination of a new microporous zeolite with large cavities connected by small pores

Hernández Rodríguez, Manuel; Jorda Moret, Jose Luis; Rey Garcia, Fernando; Corma Canós, Avelino (AMER CHEMICAL SOC, 2012)

[EN] A new small-pore germanosilicate zeolite, named as ITQ-49, has been synthesized using a new ditetraalkylphosphonium dication as an organic structure-directing agent, and its structure has been solved by direct methods ...
Use of Alkylarsonium Directing Agents for the Synthesis and Study of Zeolites

Saez-Ferre, Sara; Lopes, Christian W.; Simancas-Coloma, Jorge; Vidal Moya, José Alejandro; Blasco Lanzuela, Teresa; Agostini, Giovanni; Mínguez Espallargas, Guillermo; Jorda Moret, Jose Luis; Rey Garcia, Fernando; Oña-Burgos, Pascual (John Wiley & Sons, 2019-12-18)

[EN] Expanding the previously known family of -onium (ammonium, phosphonium, and sulfonium) organic structure-directing agents (OSDAs) for the synthesis of zeolite MFI, a new member, the arsonium cation, is used for the ...