Molecular electronic device based on pH indicator by ab initio and non-equilibrium Green function methodology

Granhen, Ewerton Ramos; Lima, Denille Brito de; Souza, F. M.; Seridonio, A. C.; Nero, Jordan Del

doi:10.1016/j.sse.2010.07.014

Cited by 4 publications

(3 citation statements)

References 28 publications

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“…In UV–vis spectroscopy, the Cu(II)/Ar 2 I + + pH indicator (ethyl red, pH end point for 4.0–5.8) solution is the sum of the respective absorption of each component (curves 1, 2, and 3, Figure A). Adding Tin(II) as what is done in resin leads to two unambiguous changes: Cu(II) is transformed in Cu(I) (blue solution to a transparent one with a decrease of the Cu(II) band at 700 nm) and, more importantly, the pH indicator changes toward its acidic form (apparition of a 510 nm band) . One can therefore clearly conclude that (i) the reaction of Cu(II) with a reducing agent (Tin(II)) forms Cu(I) in reaction r8 and that (ii) H + are generated from the Cu(I)/Ar 2 I + reaction (r10).…”

Section: Resultsmentioning

confidence: 99%

“…Adding Tin(II) as what is done in resin leads to two unambiguous changes: Cu(II) is transformed in Cu(I) (blue solution to a transparent one with a decrease of the Cu(II) band at 700 nm) and, more importantly, the pH indicator changes toward its acidic form (apparition of a 510 nm band). 47 One can therefore clearly conclude that (i) the reaction of Cu(II) with a reducing agent (Tin(II)) forms Cu(I) in reaction r8 and that (ii) H + are generated from the Cu(I)/Ar 2 I + reaction (r10). Also, in ESR spin trapping experiment (Figure 7B), a similar experiment was conducted in the presence of N-tert-butyl-α-phenylnitrone (PBN).…”

Section: Highly Efficientmentioning

confidence: 97%

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Copper-Based (Photo)redox Initiating Systems as Highly Efficient Systems for Interpenetrating Polymer Network Preparation

et al. 2018

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Simultaneous redox free radical polymerization (FRP) and redox cationic polymerization (CP) are combined for the synthesis of methacrylate/diepoxide interpenetrating polymer networks (IPN). At first, the Cu(acac)2/phosphine/iodonium salt operates according to the principles of free radical promoted cationic polymerization (FRPCP). A photoactivation of the reaction for that system was necessary to enhance the mild methacrylate and diepoxide conversions. Second and at least, two complementary copper catalytic cycles are used simultaneously: the recently developed Cu(II)/reducing agent/peroxide FRP system combined with the older Cu(II)/reducing agent/iodonium salt redox CP system. For this latter hybrid system, outstanding efficiency was observed with more than 90% of epoxy functions conversion for the cationic difunctional monomers and 78% conversion for the vinylic functions conversion for difunctional monomers. The radical and cation generations are discussed in order to fill the interrogations raised by the experimental results. The relevance of dual FRP/CP in IPN synthesis is fully demonstrated. The performance of the hybrid copper catalytic system is remarkable to overcome the oxygen inhibition; i.e., almost no oxygen inhibited layers are observed compared to the >60 μm inhibited layer obtained with a reference redox FRP such as amine/BPO.

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Section: Resultsmentioning

confidence: 99%

Section: Highly Efficientmentioning

confidence: 97%

Copper-Based (Photo)redox Initiating Systems as Highly Efficient Systems for Interpenetrating Polymer Network Preparation

et al. 2018

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“…[21][22][23] For better understanding the electronic charge distribution (and the conformational change) which must accompany the excitation process, it has been compared the dipole moment of each molecule to these corresponding to the optimized lowest singlet ground state configuration. Figure 2 presenting the absorption spectra of these dendrimers.…”

Section: Methodsmentioning

confidence: 99%

Conjugated Dendrimer: Characterization of a New Class of Organic Materials

Silva¹,

Nero²

2011

j comput theor nanosci

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This paper reports ground and excited states calculations of dendrimer by a methodology based on INDO/S, including electronic correlation CI. The results reveal the existence of different electronic patterns for the different generations of this molecule. The results indicate that this class of dendrimers has a peculiar behavior on dipole moment of the different families. These results are consistent with recent experimental data supporting the importance of this state for the mechanism of the interaction of dendrimer. The mechanism of relaxation of dendrimer is supported by the absorption spectra simulation and the conclusion comes by analysis of main transitions presents on different generations of this class of molecules.

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