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Faraday Discussions

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https://www.readbyqxmd.com/read/28820210/spiers-memorial-lecture-%C3%A2-progress-and-prospects-of-reticular-chemistry
#1
Bunyarat Rungtaweevoranit, Christian S Diercks, Markus J Kalmutzki, Omar M Yaghi
Reticular chemistry, the linking of molecular building units by strong bonds to make crystalline, extended structures such as metal-organic frameworks (MOFs), zeolitic imidazolate frameworks (ZIFs), and covalent organic frameworks (COFs), is currently one of the most rapidly expanding fields of science. In this contribution, we outline the origins of the field; the key intellectual and practical contributions, which have led to this expansion; and the new directions reticular chemistry is taking that are changing the way we think about making new materials and the manner with which we incorporate chemical information within structures to reach additional levels of functionality...
August 18, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28812760/porous-crystalline-materials-closing-remarks
#2
Susumu Kitagawa
This paper is derived from my 'closing remarks' lecture at the 287th Faraday Discussions meeting on New Directions in Porous Crystalline Materials, Edinburgh, UK, 5-7 June, 2017. This meeting comprised sessions on the design of porous networks, and their capture, storage, separation, conducting properties, catalysts, resistance to chemicals and moisture, simulation, and electronic structures. This paper details the achievements and developments in the field, as reflected in invited speakers' papers and discussions with the attendees during the meeting...
August 16, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28805831/elucidating-screw-dislocation-driven-film-formation-of-sodium-thiosulphate-with-complex-hierarchical-molecular-assembly
#3
Deepak Dwivedi, Katerina Lepkova, Thomas Becker, Matthew R Rowles
Sodium thiosulphate (Na2S2O3) films were synthesized on carbon steel substrates through solution deposition, and a film formation growth mechanism is delineated in detail herein. Dislocation-driven film formation took place at the lower concentration of Na2S2O3 (0.1 M) studied, where screw dislocation loops were identified. Interestingly, we observed the co-existence of screw dislocation spiral loops and hierarchically-ordered molecular assembly in the film, and showed the importance of hierarchical morphology in the origin of screw dislocation...
August 14, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28799603/the-culture-of-hacat-cells-on-liquid-substrates-is-mediated-by-a-mechanically-strong-liquid-liquid-interface
#4
D Kong, K D Q Nguyen, W Megone, L Peng, J E Gautrot
The mechanical properties of naturally-derived matrices and biomaterials are thought to play an important role in directing cell adhesion, spreading, motility, proliferation and differentiation. However, recent reports have indicated that cells may respond to local nanoscale physical cues, rather than bulk mechanical properties. We had previously reported that primary keratinocytes and mesenchymal stem cells did not seem to respond to the bulk mechanical properties of poly(dimethyl siloxane) (PDMS) substrates...
August 11, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28795746/pt-dipyridyl-tetrazine-metal-organic-network-on-the-au-100-surface-insights-from-first-principles-calculations
#5
Duy Le, Talat S Rahman
Metal-organic coordination networks with active metal centers are a promising class of materials for next-generation catalysts. Motivated by experimental observations of the formation of a Pt-Dipyridyl Tetrazine (DT) metal-organic network on the Au(100) surface [D. Skomski et al., J. Am. Chem. Soc., 2014, 136, 9862], we carried out density functional theory based calculations on the same system. In this discussion, we demonstrate that the strong interaction between DT ligands and Pt metal centers makes the network stable and that the Pt centers become positively charged by donating their electrons to the DT ligands, resulting in +2 oxidation states for the Pt centers...
August 10, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28795728/the-air-we-breathe-past-present-and-future-general-discussion
#6
Scott Archer-Nicholls, Alexander Archibald, Stephen Arnold, Thorsten Bartels-Rausch, Steven Brown, Lucy J Carpenter, William Collins, Luke Conibear, Ruth Doherty, Rachel Dunmore, Jacinta Edebeli, Morgan Edwards, Mathew Evans, Barbara Finlayson-Pitts, Jacqueline Hamilton, Meredith Hastings, Colette Heald, Dwayne Heard, Markus Kalberer, Christopher Kampf, Astrid Kiendler-Scharr, Daniel Knopf, Jesse Kroll, Forrest Lacey, Jos Lelieveld, Eloise Marais, Jennifer Murphy, Olajide Olawoyin, A Ravishankara, Jonathan Reid, Yinon Rudich, Drew Shindell, Nadine Unger, Andreas Wahner, Timothy J Wallington, Jonathan Williams, Paul Young, Alla Zelenyuk
No abstract text is available yet for this article.
August 10, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28795727/atmospheric-chemistry-and-the-biosphere-general-discussion
#7
Alexander Archibald, Stephen Arnold, Lustinian Bejan, Steven Brown, Martin Brüggemann, Lucy J Carpenter, William Collins, Mathew Evans, Barbara Finlayson-Pitts, Christian George, Meredith Hastings, Dwayne Heard, C N Hewitt, Gabriel Isaacman-VanWertz, Markus Kalberer, Frank Keutsch, Astrid Kiendler-Scharr, Daniel Knopf, Jos Lelieveld, Eloise Marais, Andreas Petzold, A Ravishankara, Jonathan Reid, Grazia Rovelli, Catherine Scott, Tomás Sherwen, Drew Shindell, Liselotte Tinel, Nadine Unger, Andreas Wahner, Timothy J Wallington, Jonathan Williams, Paul Young, Alla Zelenyuk
No abstract text is available yet for this article.
August 10, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28792043/atmospheric-chemistry-processes-general-discussion
#8
Alexander Archibald, Stephen Arnold, Thorsten Bartels-Rausch, Steven Brown, Rebecca Caravan, Lucy J Carpenter, Rabi Chhantyal-Pun, Hugh Coe, Jing Dou, Jacinta Edebeli, Mathew Evans, Barbara Finlayson-Pitts, Christian George, Jacqueline Hamilton, Colette Heald, Dwayne Heard, C N Hewitt, Gabriel Isaacman-VanWertz, Roderic Jones, Markus Kalberer, Christopher Kampf, Veli-Matti Kerminen, Astrid Kiendler-Scharr, Daniel Knopf, Jesse Kroll, Jos Lelieveld, Eloise Marais, Max McGillen, Abdelwahid Mellouki, Andreas Petzold, A Ravishankara, Andrew Rickard, Y Rudich, Craig Taatjes, Andreas Wahner, Jonathan Williams, Alla Zelenyuk
No abstract text is available yet for this article.
August 9, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28792036/probing-the-interplay-between-geometric-and-electronic-structure-in-a-two-dimensional-k-tcnq-charge-transfer-network
#9
P J Blowey, L A Rochford, D A Duncan, D A Warr, T-L Lee, D P Woodruff, G Costantini
Scanning tunnelling microscopy (STM), low energy electron diffraction (LEED), ultraviolet and soft X-ray photoelectron spectroscopy (UPS and SXPS) have been used to characterise the formation of a coadsorption phase of TCNQ and K on Ag(111), while the normal incident X-ray standing waves (NIXSW) technique has been used to obtain quantitative structural information. STM and LEED show that an ordered incommensurate phase is formed in which the K atoms are surrounded by four TCNQ molecules in a 'windmill' motif, characteristic of other metal/TCNQ phases, in which the nominal TCNQ : K stoichiometry is 1 : 1...
August 9, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28792032/new-tools-for-atmospheric-chemistry-general-discussion
#10
Peter Alpert, Alexander Archibald, Stephen Arnold, Kirsti Ashworth, Steven Brown, Steven Campbell, Lucy J Carpenter, Hugh Coe, Jing Dou, Jacinta Edebeli, Barbara Finlayson-Pitts, Andrew Grantham, Jacqueline Hamilton, Meredith Hastings, Dwayne Heard, Gabriel Isaacman-VanWertz, Roderic Jones, Markus Kalberer, Astrid Kiendler-Scharr, Daniel Knopf, Jesse Kroll, Jos Lelieveld, Alastair Lewis, Eloise Marais, Aleksandra Marsh, Sarah Moller, Andreas Petzold, William Porter, A Ravishankara, Jonathan Reid, Andrew Rickard, Grazia Rovelli, Yinon Rudich, Craig Taatjes, Adam Vaughan, Andreas Wahner, Timothy J Wallington, Jonathan Williams, Paul Young, Alla Zelenyuk
No abstract text is available yet for this article.
August 9, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28787051/a-new-on-surface-synthetic-pathway-to-5-armchair-graphene-nanoribbons-on-cu-111-surfaces
#11
Kewei Sun, Penghui Ji, Haiming Zhang, Kaifeng Niu, Ling Li, Aixi Chen, Qing Li, Klaus Müllen, Lifeng Chi
We report a new pathway to fabricate armchair graphene nanoribbons with five carbon atoms in the cross section (5-AGNRs) on Cu(111) surfaces. Instead of using haloaromatics as precursors, the 5-AGNRs are synthesized via a surface assisted decarboxylation reaction of perylene-3,4,9,10-tetracarboxylic dianhydride (PTCDA). The on-surface decarboxylation of PTCDA can produce extended copper-perylene chains on Cu(111) that are able to transform into graphene nanoribbons after annealing at higher temperatures (ca...
August 8, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28786449/molecular-self-assembly-of-substituted-terephthalic-acids-at-the-liquid-solid-interface-investigating-the-effect-of-solvent
#12
A Della Pia, D Luo, R Blackwell, G Costantini, N Martsinovich
Self-assembly of three related molecules - terephthalic acid and its hydroxylated analogues - at liquid/solid interfaces (graphite/heptanoic acid and graphite/1-phenyloctane) has been studied using a combination of scanning tunnelling microscopy and molecular mechanics and molecular dynamics calculations. Brickwork-like patterns typical for terephthalic acid self-assembly have been observed for all three molecules. However, several differences became apparent: (i) formation or lack of adsorbed monolayers (self-assembled monolayers formed in all systems, with one notable exception of terephthalic acid at the graphite/1-phenyloctane interface where no adsorption was observed), (ii) the size of adsorbate islands (large islands at the interface with heptanoic acid and smaller ones at the interface with 1-phenyloctane), and (iii) polymorphism of the hydroxylated terephthalic acids' monolayers, dependent on the molecular structure and/or solvent...
August 8, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28782775/sequential-nested-assembly-at-the-liquid-solid-interface
#13
Baharan Karamzadeh, Thomas Eaton, David Muñoz Torres, Izabela Cebula, Marcel Mayor, Manfred Buck
Studying the stepwise assembly of a four component hybrid structure on Au(111)/mica, the pores of a hydrogen bonded bimolecular network of 3,4,9,10-perylenetetracarboxylic diimide (PTCDI) and 1,3,5-triazine-2,4,6-triamine (melamine) were partitioned by three and four-armed molecules based on oligo([biphenyl]-4-ylethynyl)benzene, followed by the templated adsorption of either C60 fullerene or adamantane thiol molecules. The characterisation by ambient scanning tunneling microscopy (STM) reveals that the pore modifiers exhibit dynamics which pronouncedly depend on the molecular structure...
August 7, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28776617/surface-bound-quadruple-h-bonded-dimers-formation-and-exchange-kinetics
#14
Digvijay Gahtory, Rickdeb Sen, Maarten M J Smulders, Han Zuilhof
While the mechanistic details of the dimerization of the self-complementary 2-ureido-4(1H)-pyrimidinone (UPy) motif are well studied in solution, no such investigation is available on a surface. Here we report an extensive study of hydrogen binding kinetics for quadruply H-bonded UPy arrays on aluminum surfaces and explore the ON/OFF capability of such arrays under externally controllable conditions. Also, we investigate the dynamic nature of this system whereby the interfacially H-bonded UPy is displaced by another UPy derivative in solution, and reveal the kinetics of the exchange process...
August 4, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28776616/what-can-be-inferred-from-moir%C3%A3-patterns-a-case-study-of-trimesic-acid-monolayers-on-graphite
#15
Saskia Spitzer, Oliver Helmle, Oliver Ochs, Joshua Horsley, Natalia Martsinovich, Wolfgang M Heckl, Markus Lackinger
Self-assembly of benzene-1,3,5-tricarboxylic acid (trimesic acid - TMA) monolayers at the alkanoic acid-graphite interface is revisited. Even though this archetypal model system for hydrogen bonded porous networks is particularly well studied, the analysis of routinely observed superperiodic contrast modulations known as moiré patterns lags significantly behind. Fundamental questions remain unanswered such as, are moiré periodicity and orientation always the same, i.e. is exclusively only one specific moiré pattern observed? What are the geometric relationships (superstructure matrices) between moiré, TMA, and graphite lattices? What affects the moiré pattern formation? Is there any influence from solvent, concentration, or thermal treatment? These basic questions are addressed via scanning tunneling microscopy experiments at the liquid-solid interface, revealing a variety of different moiré patterns...
August 4, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28771267/physical-and-chemical-model-of-ion-stability-and-movement-within-the-dynamic-and-voltage-gated-stm-tip-surface-tunneling-junction
#16
Brandon E Hirsch, Kevin P McDonald, Steven L Tait, Amar H Flood
The interaction and mobility of ions in complex systems are fundamental to processes throughout chemistry, biology, and physics. However, nanoscale characterization of ion stability and migration remains poorly understood. Here, we examine ion movements to and from physisorbed molecular receptors at solution-graphite interfaces by developing a theoretical model alongside experimental scanning tunneling microscopy (STM) results. The model includes van der Waals forces and electrostatic interactions originating from the surface, tip, and physisorbed receptors, as well as a tip-surface electric field arising from the STM bias voltage (Vb)...
August 3, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28771265/erecting-buckybowls-onto-their-edge-2d-self-assembly-of-terphenylcorannulene-on-the-cu-111-surface
#17
Quirin S Stöckl, Tsun-Cheng Wu, Anaïs Mairena, Yao-Ting Wu, Karl-Heinz Ernst
A 2D self-assembly of a C32H12 buckybowl on the Cu(111) surface has been studied by means of scanning tunnelling microscopy. Additional aromatic rings at the rim of the corannulene core cause the bowl-shaped molecule to stand on its edge. This adsorption mode allows distinct π-π and C-Hπ interactions between the convex bowl surfaces as well as between the hydrogen-terminated rim and the convex bowl faces.
August 3, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28770938/the-role-of-halogens-in-on-surface-ullmann-polymerization
#18
Gianluca Galeotti, Marco Di Giovannantonio, Josh Lipton-Duffin, Maryam Ebrahimi, Stefano Tebi, Alberto Verdini, Luca Floreano, Yannick Fagot-Revurat, Dmitrii F Perepichka, Federico Rosei, Giorgio Contini
Ullmann coupling is the most common approach to form surface-confined one- and two-dimensional conjugated structures from haloaryl derivatives. The dimensions of the formed nanostructures can be controlled by the number and location of halogens within the molecular precursors. Our study illustrates that the type of halogen plays an essential role in the design, orientation, and extent of the surface-confined organometallic and polymeric nanostructures. We performed a comparative analysis of five 1,4-dihalobenzene molecules containing chlorine, bromine, and iodine on Cu(110) using scanning tunneling microscopy, fast-X-ray photoelectron and near edge X-ray absorption fine structure spectroscopies...
August 3, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28770933/exploring-catalyst-passivation-with-nmr-relaxation
#19
Neil Robinson, Lynn F Gladden, Carmine D'Agostino
NMR relaxation has recently emerged as a novel and non-invasive tool for probing the surface dynamics of adsorbate molecules within liquid-saturated mesoporous catalysts. The elucidation of such dynamics is of particular relevance to the study and development of solvated green catalytic processes, such as the production of chemicals and fuels from bio-resources. In this paper we develop and implement a protocol using high field (1)H NMR spin-lattice relaxation as a probe of the reorientational dynamics of liquids imbibed within mesoporous oxide materials...
August 3, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28767116/a-surprising-way-to-control-the-charge-transport-in-molecular-electronics-the-subtle-impact-of-the-coverage-of-self-assembled-monolayers-of-floppy-molecules-adsorbed-on-metallic-electrodes
#20
Ioan Bâldea
Inspired by earlier attempts in organic electronics aiming at controlling charge injection from metals into organic materials by manipulating the Schottky energy barrier using self-assembled monolayers (SAMs), recent experimental and theoretical work in molecular electronics showed that metal-organic interfaces can be controlled via changes in the metal work function that are induced by SAMs. In this paper we indicate a different route to achieve interface-driven control over the charge transfer/transport at the molecular scale...
August 2, 2017: Faraday Discussions
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