Silsesquioxanes: Part I: A key intermediate in the building of molecular composite materials

Provatas, Arthur; Luft, Martin; Mu, Jun; White, and Andrew J. P.; Matisons, Janis G.; Skelton, Brian W.

doi:10.1016/s0022-328x(98)00450-1

Cited by 64 publications

(50 citation statements)

References 17 publications

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“…Although much is known experimentally about the chemical synthesis of POSS derivatives [12][13][14] and their characterization, 15 16 little theoretical understanding exists at the molecular level or beyond. In particular, the way in which individual POSS molecules can be assembled and manipulated on the nanoscale level to form meso-and macroscale systems has not been investigated previously.…”

mentioning

confidence: 99%

Multiscale Simulation of the Synthesis, Assembly and Properties of Nanostructured Organic/Inorganic Hybrid Materials

McCabe

Glotzer

Kieffer

et al. 2004

j comput theor nanosci

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Polyhedral oligomeric silsesquioxane (POSS) molecules are unique nanometer-sized inorganicorganic hybrid structures based on a (SiO 1 5 8 core. Depending on the functionalization of the POSS cages, the resulting systems can be solid or liquid, or, upon cross-linking, turned into a network. Although much is known experimentally about the chemical synthesis of POSS systems, very little theoretical understanding exists at the molecular level or beyond. In particular, the way in which individual POSS molecules can be assembled and manipulated at the nanoscale to form meso-and macroscale systems has not been investigated previously. The overall goal of our work is to develop a multiscale computational framework to simulate the synthesis and self-and guided-assembly of POSS systems. In this report we present an overview of the computational approach on which this framework is based, which combines simulation techniques at the electronic, atomistic, and mesoscale levels, and we provide an overview of progress in each of these areas.

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mentioning

confidence: 99%

Multiscale Simulation of the Synthesis, Assembly and Properties of Nanostructured Organic/Inorganic Hybrid Materials

McCabe

Glotzer

Kieffer

et al. 2004

j comput theor nanosci

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“…[8] Cage silsesquioxanes (SQs) with perfect rigid cubic symmetry have been utilized to construct porous materials. [17] As a kind of inorganic-organic compound, SQs possess a 3D framework consisting of a silica Si 8 O 12 cage as the core and eight organic substituents at the periphery, [18a] which endow SQs with excellent mechanical properties, thermal stability, and molecular-selective properties. [18b,18c] In addition, many octafunctionalized SQs have been synthesized by introducing specific functional groups.…”

Section: Introductionmentioning

confidence: 99%

An Efficient Approach to Octabromophenylethyl‐Functionalized Cage Silsesquioxane and Its Use in Constructing Hybrid Porous Materials

Jiang

Yang

et al. 2015

Eur J Inorg Chem

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Octabromophenylethyl-functionalized silsesquioxane (BrPh-SQ) was synthesized by the Friedel-Crafts alkylation of octavinylsilsesquioxane (OVS) with bromobenzene, which acted as both the solvent and reactant and, furthermore, could be recycled after the reaction. The approach possesses the advantages of being mild, economic, and highly efficient. Further, BrPh-SQ was used as a building block in Heck reactions

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“…Silsesquioxanes have a large number of applications, such as catalysts (Gnanasekaran et al, 2009;Kuo, & Chang, 2011;Li et al, 2001;Provatas et al, 1998;Laine & Roll, 2011), liquid crystals (Gnanasekaran et al, 2009;Cordes et al, 2010), biosensors (Cordes et al, 2010;Kuo & Chang, 2011;Xu et al, 2011) and silica interface (Handke & Kowalewska, 2011) and dendrimer precursors . It is very interesting to know that their properties increase when these structures are functionalized with organic groups forming hybrid materials (Gnanasekaran et al, 2009;Xu et al, 2011).…”

Section: Introductionmentioning

confidence: 99%

Use of a Silsesquioxane Organically Modified with 4-amino-5-(4-pyridyl)-4H-1,2,4-triazole-3-thiol (APTT) for Adsorption of Metal Ions

Soares¹,

Silveira²,

Silvestrini³

et al. 2013

IJC

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This paper describes the preparation of a nanostructured silsesquioxane, the cloropropilsilsesquioxano (S) that was organofunctionalised with the 4-amino-5-4(pyridyl)-4H-1,2,4-triazole-3-thiol (APTT), the material obtained of the functionalization was described as SA. The material SA was characterized by spectroscopy in the region of infrared (FTIR). After proper characterization, were carried studies on adsorption of metallic ions such as Cu 2+ , Ni 2+ and Cd 2+ in the active sites of SA. Different methods were studied in the adsorption of metal ions above: aqueous, ethanol 42% and ethanol 99%, determining the adsorption equilibrium time, which for both means and metals the maximum time averaged 35 minutes. After determining the adsorption equilibrium time of metal ions in each system, we determined the specific sorption capacity (Nf max ) through adsorption isotherms. The results suggest that the sorption of metal ions on DPPIPS occurs mainly by surface complexation and a Langmuir model allowed describing the sorption of the metal ions on SA. The excellent adsorptive capacity made possible the development of a method for determination of metal ions at trace level in real samples such as waste water, ethanol fuel and alcoholics beverages.

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Silsesquioxanes: Part I: A key intermediate in the building of molecular composite materials

Cited by 64 publications

References 17 publications

Multiscale Simulation of the Synthesis, Assembly and Properties of Nanostructured Organic/Inorganic Hybrid Materials

Multiscale Simulation of the Synthesis, Assembly and Properties of Nanostructured Organic/Inorganic Hybrid Materials

An Efficient Approach to Octabromophenylethyl‐Functionalized Cage Silsesquioxane and Its Use in Constructing Hybrid Porous Materials

Use of a Silsesquioxane Organically Modified with 4-amino-5-(4-pyridyl)-4H-1,2,4-triazole-3-thiol (APTT) for Adsorption of Metal Ions

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