Quantum chemical investigation of the counter anion in the acid catalyzed initiation of 2,2′-spirobi[4H-1,3,2-benzodioxasiline] polymerization

Tchernook, Ivan; Prehl, Janett; Friedrich, Joachim

doi:10.1016/j.polymer.2015.01.042

Cited by 12 publications

(8 citation statements)

References 56 publications

(26 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…For this purpose, twin polymerization (TP) was established as a new anhydrous route for the production of nanostructured polymeric organic-inorganic hybrid materials. [6][7][8][9][10][11][12][13][14][15][16][17] This process offers the possibility for avoiding phase separation and it is well suited for surface coating, [18][19][20][21][22][23] thus providing a complementary process to the simultaneous polymerization of common monomers in combination with established sol-gel processes or related procedures. [24][25][26][27][28][29][30] By twin polymerization of a twin monomer, two nanostructured polymers are formed in one reaction step.…”

Section: Introductionmentioning

confidence: 99%

Surface-mediated twin polymerisation of 2,2′-spirobi[4H-1,3,2-benzodioxasiline] on multi-walled carbon nanotubes, polyacrylonitrile particles and copper particles

et al. 2022

View full text Add to dashboard Cite

show abstract

Section: Introductionmentioning

confidence: 99%

Surface-mediated twin polymerisation of 2,2′-spirobi[4H-1,3,2-benzodioxasiline] on multi-walled carbon nanotubes, polyacrylonitrile particles and copper particles

et al. 2022

View full text Add to dashboard Cite

show abstract

“…As shown in Figure 3 1 twin polymerizes to a phenolic resin ( 2 ) and silica network ( 3 ). From experimental [6,7,8,10,29,30] and theoretical [8,14,15,16,17,18] investigations it is known, that the acid catalyzed reaction mechanism is a reaction in a melt [8]. It can be characterized by three main reaction steps.…”

Section: Numerical Model Materials and Methodsmentioning

confidence: 99%

“…Important questions like: “Which elements of the twin monomer structure need to be changed to obtain an nanoporous hybrid materials with a desired pore size distribution?” or “Where to tune the reaction mechanism to generate a specific application based material with desired specific surface area?” are still difficult to answer. To bridge this gap, in the last years several theoretical approaches [9,14,15,16,17,18,19] at different levels of detail have been established. From these investigations, we gain important insights into the reaction mechanism of the thermal, acid- and base-induced twin polymerization.…”

Section: Introductionmentioning

confidence: 99%

Morphology on Reaction Mechanism Dependency for Twin Polymerization

Prehl

Huster

2019

Polymers

Self Cite

View full text Add to dashboard Cite

An in-depth knowledge of the structure formation process and the resulting dependency of the morphology on the reaction mechanism is a key requirement in order to design application-oriented materials. For twin polymerization, the basic idea of the reaction process is established, and important structural properties of the final nanoporous hybrid materials are known. However, the effects of changing the reaction mechanism parameters on the final morphology is still an open issue. In this work, the dependence of the morphology on the reaction mechanism is investigated based on a previously introduced lattice-based Monte Carlo method, the reactive bond fluctuation model. We analyze the effects of the model parameters, such as movability, attraction, or reaction probabilities on structural properties, like the specific surface area, the radial distribution function, the local porosity distribution, or the total fraction of percolating elements. From these examinations, we can identify key factors to adapt structural properties to fulfill desired requirements for possible applications. Hereby, we point out which implications theses parameter changes have on the underlying chemical structure.

show abstract

“…The structurally different polymerizable moieties of a twin monomer are only suitable for step growth polymerization. Thermal treatment, acid or base catalysis of the twin monomers triggers the twin polymerization process in which, mechanistically coupled, two polymers are produced at the same time …”

Section: Introductionmentioning

confidence: 99%

B₂O₃/SiO₂/Phenolic Resin Hybrid Materials Produced by Simultaneous Twin Polymerization of Spiromonomers

Weißhuhn

Seifert

Dzhagan

et al. 2018

Macro Chemistry & Physics

View full text Add to dashboard Cite

A synthetic procedure for boron oxide/silica/carbon polymer hybrid materials is presented, which does not need water as a reagent. For this purpose, the combined polymerization of the two twin monomers 2,2′‐spirobi[4H‐1,3,2‐benzodioxasiline] 1 and spiroboronate tetra‐n‐butylammonium bis(ortho‐hydroxymethylphenolato)borate 2 is successful to produce homogeneous hybrid materials by thermal treatment in the melt at 180 °C. The achieved hybrid material shows a ternary composition. It consists of silica, polyborate‐tetra(n‐butyl)ammonium, and phenolic resin. The tetra(n‐butyl)ammonium cation within the hybrid material, originating from monomer 2, can be easily sacrificed by Hofmann degradation at 300 °C. Thereby, it serves as the proton source for the BOH moiety. This thermal treatment finally results in the formation of the boron oxide network. The reaction between both inorganic networks under the formation of SiOB bonds occurs at 450 °C in air atmosphere, which is proven with infrared spectroscopy. Oxidation and carbonization of the hybrid materials provide composite materials with a similar composition of C/B2O3/SiO2. Their use as effective flame retardant materials is demonstrated.

show abstract

Quantum chemical investigation of the counter anion in the acid catalyzed initiation of 2,2′-spirobi[4H-1,3,2-benzodioxasiline] polymerization

Cited by 12 publications

References 56 publications

Surface-mediated twin polymerisation of 2,2′-spirobi[4H-1,3,2-benzodioxasiline] on multi-walled carbon nanotubes, polyacrylonitrile particles and copper particles

Surface-mediated twin polymerisation of 2,2′-spirobi[4H-1,3,2-benzodioxasiline] on multi-walled carbon nanotubes, polyacrylonitrile particles and copper particles

Morphology on Reaction Mechanism Dependency for Twin Polymerization

B₂O₃/SiO₂/Phenolic Resin Hybrid Materials Produced by Simultaneous Twin Polymerization of Spiromonomers

Contact Info

Product

Resources

About

Quantum chemical investigation of the counter anion in the acid catalyzed initiation of 2,2′-spirobi[4H-1,3,2-benzodioxasiline] polymerization

Cited by 12 publications

References 56 publications

Surface-mediated twin polymerisation of 2,2′-spirobi[4H-1,3,2-benzodioxasiline] on multi-walled carbon nanotubes, polyacrylonitrile particles and copper particles

Surface-mediated twin polymerisation of 2,2′-spirobi[4H-1,3,2-benzodioxasiline] on multi-walled carbon nanotubes, polyacrylonitrile particles and copper particles

Morphology on Reaction Mechanism Dependency for Twin Polymerization

B2O3/SiO2/Phenolic Resin Hybrid Materials Produced by Simultaneous Twin Polymerization of Spiromonomers

Contact Info

Product

Resources

About

B₂O₃/SiO₂/Phenolic Resin Hybrid Materials Produced by Simultaneous Twin Polymerization of Spiromonomers