UAB Digital Repository of Documents 9 records found  Search took 0.02 seconds. 
1.
12 p, 3.5 MB What Controls Photocatalytic Water Oxidation on Rutile TiO2(110) under Ultra-High-Vacuum Conditions? / Migani, Annapaola (Institut Català de Nanociència i Nanotecnologia) ; Blancafort, Lluís (Institut de Química Computacional i Catàlisi)
The photocatalytic O-H dissociation of water absorbed on a rutile TiO(110) surface in ultrahigh vacuum (UHV) is studied with spin-polarized density functional theory and a hybrid exchange-correlation functional (HSE06), treating the excited-state species as excitons with triplet multiplicity. [...]
2017 - 10.1021/jacs.7b05121
Journal of the American Chemical Society, Vol. 139, Issue 34 (August 2017) , p. 11845-11856  
2.
Postsynthetic Selective Ligand Cleavage by Solid-Gas Phase Ozonolysis Fuses Micropores into Mesopores in Metal-Organic Frameworks / Guillerm, Vincent (Institut Català de Nanociència i Nanotecnologia) ; Xu, Heng (Institut Català de Nanociència i Nanotecnologia) ; Albalad, Jorge (Institut Català de Nanociència i Nanotecnologia) ; Imaz, Inhar (Institut Català de Nanociència i Nanotecnologia) ; Maspoch Comamala, Daniel (Institut Català de Nanociència i Nanotecnologia)
Herein we report a novel, ozone-based method for postsynthetic generation of mesoporosity in metal-organic frameworks (MOFs). By carefully selecting mixed-ligand Zr-fcu-MOFs based on organic ligand pairs in which one ligand has ozone-cleavable olefin bonds and the other ligand is ozone-resistant, we were able to selectively break the cleavable ligand via ozonolysis to trigger fusion of micropores into mesopores within the MOF framework. [...]
2018 - 10.1021/jacs.8b09682
Journal of the American Chemical Society, Vol. 140, Issue 44 (November 2018) , p. 15022-15030  
3.
6 p, 767.9 KB Zigzag ligands for transversal design in reticular chemistry : unveiling new structural opportunities for metal-organic frameworks / Guillerm, Vincent (Institut Català de Nanociència i Nanotecnologia) ; Grancha, Thais (Institut Català de Nanociència i Nanotecnologia) ; Imaz, Inhar (Institut Català de Nanociència i Nanotecnologia) ; Juanhuix, Judith (ALBA Laboratori de Llum de Sincrotró) ; Maspoch Comamala, Daniel (Institut Català de Nanociència i Nanotecnologia)
Herein we describe the topological influence of zigzag ligands in the assembly of Zr(IV) metal-organic frameworks (MOFs). Through a transversal design strategy using reticular chemistry, we were able to synthesize a family of isoreticular Zr(IV)-based MOFs exhibiting the bcu - rather than the fcu - topology. [...]
2018 - 10.1021/jacs.8b07050
Journal of the American Chemical Society, Vol. 140, issue 32 (August 2018) , p. 10153-10157  
4.
8 p, 869.3 KB Single-crystal-to-single-crystal postsynthetic modification of a metal-organic framework via ozonolysis / Albalad, Jorge (Institut Català de Nanociència i Nanotecnologia) ; Xu, Heng (Institut Català de Nanociència i Nanotecnologia) ; Gándara, Felipe (Instituto de Ciencia de Materiales de Madrid) ; Haouas, Mohamed (Université Paris-Saclay. Institut Lavoisier de Versailles) ; Martineau-Corcos, Charlotte (Université Paris-Saclay. Institut Lavoisier de Versailles) ; Mas-Ballesté, Rubén (Universidad Autónoma de Madrid. Departamento de Química Inorgánica) ; Barnett, Sarah A. (Diamond Light Source) ; Juanhuix, Judith (ALBA Laboratori de Llum de Sincrotró) ; Imaz, Inhar (Institut Català de Nanociència i Nanotecnologia) ; Maspoch Comamala, Daniel (Institut Català de Nanociència i Nanotecnologia)
We describe solid-gas phase, single-crystal-to-single-crystal, postsynthetic modifications of a metal-organic framework (MOF). Using ozone, we quantitatively transformed the olefin groups of a UiO-66-type MOF into 1,2,4-trioxolane rings, which we then selectively converted into either aldehydes or carboxylic acids.
2018 - 10.1021/jacs.7b12913
Journal of the American Chemical Society, Vol. 140, issue 6 (Feb. 2018) , p. 2028-2031  
5.
Postsynthetic covalent and coordination functionalization of rhodium(II)-based metal-organic polyhedra / Carné Sánchez, Arnau (Institut Català de Nanociència i Nanotecnologia) ; Albalad, Jorge (Institut Català de Nanociència i Nanotecnologia) ; Grancha, Thais (Institut Català de Nanociència i Nanotecnologia) ; Imaz, Inhar (Institut Català de Nanociència i Nanotecnologia) ; Juanhuix, Judith (ALBA Laboratori de Llum de Sincrotró) ; Larpent, Patrick (Kyoto University. Institute for Integrated Cell-Material Science) ; Furukawa, Shuhei (Kyoto University. Department of Synthetic Chemistry and Biological Chemistry) ; Maspoch Comamala, Daniel (Institut Català de Nanociència i Nanotecnologia)
Metal-organic polyhedra (MOP) are ultrasmall (typically 1-4 nm) porous coordination cages made from the self-assembly of metal ions and organic linkers and are amenable to the chemical functionalization of its periphery; however, it has been challenging to implement postsynthetic functionalization due to their chemical instability. [...]
2019 - 10.1021/jacs.8b13593
Journal of the American Chemical Society, Vol. 141, issue 9 (March 2019) , p. 4094-4102  
6.
10 p, 5.8 MB Enhanced activity and acid pH stability of Prussian blue-type oxygen evolution electrocatalysts processed by chemical etching / Han, Lijuan (Institut Català d'Investigació Química) ; Tang, PengYi (Institut Català de Nanociència i Nanotecnologia) ; Reyes-Carmona, Álvaro (Institut Català d'Investigació Química) ; Rodríguez-García, Bárbara (Institut Català d'Investigació Química) ; Torréns, Mabel (Institut Català d'Investigació Química) ; Morante, Joan Ramon (Centre de Recerca en Energia de Catalunya) ; Arbiol i Cobos, Jordi (Institut Català de Nanociència i Nanotecnologia) ; Galan-Mascaros, José Ramon (Institut Català d'Investigació Química)
The development of upscalable oxygen evolving electrocatalysts from earth-abundant metals able to operate in neutral or acidic environments and low overpotentials remains a fundamental challenge for the realization of artificial photosynthesis. [...]
2016 - 10.1021/jacs.6b09778
Journal of the American Chemical Society, Vol. 138, issue 49 (2016) , p. 16037-16045  
7.
23 p, 959.0 KB Spray drying for making covalent chemistry : postsynthetic modification of metal-organic frameworks / Garzón Tovar, Luis (Institut Català de Nanociència i Nanotecnologia) ; Rodríguez-Hermida, Sabina (Institut Català de Nanociència i Nanotecnologia) ; Imaz, Inhar (Institut Català de Nanociència i Nanotecnologia) ; Maspoch Comamala, Daniel (Institut Català de Nanociència i Nanotecnologia)
Covalent postsynthetic modification (PSM) of metal-organic frameworks (MOFs) has attracted much attention due to the possibility of tailoring the properties of these porous materials. Schiff-base condensation betwecn an amine and an aldehyde is one of the most common reactions in the PSM of MOFs. [...]
2017 - 10.1021/jacs.6b11240
Journal of the American Chemical Society, Vol. 139, Núm. 2 (January 2017) , p. 897-903
2 documents
8.
26 p, 4.4 MB Surface cis Effect : Influence of an Axial Ligand on Molecular Self-Assembly / Knaak, Thomas (Christian-Albrechts-Universität zu Kiel (Alemanya)) ; Gopakumar, Thiruvancheril G. (Indian Institute of Technology Kanpur) ; Schwager, Bettina (Christian-Albrechts-Universität zu Kiel (Alemanya)) ; Tuczek, Felix (Christian-Albrechts-Universität zu Kiel (Alemanya)) ; Robles, Roberto (Institut Català de Nanociència i Nanotecnologia) ; Lorente Palacios, Nicolás (Centro de Física de Materiales (Sant Sebastià, País Basc)) ; Berndt, Richard (Christian-Albrechts-Universität zu Kiel (Alemanya))
Adding ligands to molecules can have drastic and unforeseen consequences in the final products of a reaction. Recently a surface trans effect due to the weakening of a molecule-surface bond was reported. [...]
2016 - 10.1021/jacs.6b03710
Journal of the American Chemical Society, Vol. 138, Núm. 24 (June 2016) , p. 7544-7550  
9.
10 p, 2.0 MB Cyclobutene vs 1,3-Diene Formation in the Gold-Catalyzed Reaction of Alkynes with Alkenes : The Complete Mechanistic Picture / Orbe, M. Elena de (The Barcelona Institute of Science and Technology) ; Amenós, Laura (The Barcelona Institute of Science and Technology) ; Kirillova, Mariia S. (The Barcelona Institute of Science and Technology) ; Wang, Yahui (The Barcelona Institute of Science and Technology) ; López Carrillo, Verónica (The Barcelona Institute of Science and Technology) ; Maseras Cuní, Feliu (Universitat Autònoma de Barcelona. Departament de Química) ; Echavarren, Antonio M. (Universitat Rovira i Virgili)
The intermolecular gold(I)-catalyzed reaction between arylalkynes and alkenes leads to cyclobutenes by a [2 + 2] cycloaddition, which takes place stepwise, first by formation of cyclopropyl gold(I) carbenes, followed by a ring expansion. [...]
2017 - 10.1021/jacs.7b03005
Journal of the American Chemical Society, Vol. 139, Issue 30 (August 2017) , p. 10302-10311  

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