Conversion constants for redox potentials measured versus different reference electrodes in acetonitrile solutions at 25°C

Pavlishchuk, V. V.; Addison, Anthony W.

doi:10.1016/s0020-1693(99)00407-7

Cited by 1,318 publications

(1,377 citation statements)

References 64 publications

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“…The oxidation and reduction were measured separately at a scan rate of 100 mV s −1 , with a minimum of four measurements for each film. The HOMO and LUMO levels were derived from the first oxidation and reduction onset potential (E ox and E red ) by setting the Fc/Fc + oxidation onset potential versus the normal hydrogen electrode (NHE) to 0.630 V and the NHE to −4.5 V in the Fermi vacuum scale, [67][68][69] which gives the formula HOMO = −(E ox + 5.13) eV and LUMO = −(E red + 5.13) eV. The reversibility of the electrochemical oxidation and reduction processes was estimated from the separation of their cathodic (E p c ) and anodic peak potentials (E p a ), as ΔE p = E p c − E p a .…”

Section: Methodsmentioning

confidence: 99%

Efficient Near‐Infrared Electroluminescence at 840 nm with “Metal‐Free” Small‐Molecule:Polymer Blends

et al. 2018

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The development of efficient and biocompatible organic near-infrared emitters is attractive for many applications, spanning from photodynamic therapy [1] to light fidelity (Li-Fi) all-optical networking systems. [2][3][4] In particular, the range 700-1000 nm is interesting for medical applications, given the semitransparency of biological tissue in this spectral interval, [5] and we will specifically refer to this range as near-infrared (NIR) in the following text. Compared to conventional inorganic materials, organic NIR emitters are interesting also for their mechanical conformability, which makes them appealing for the integration in flexible and stretchable devices. [6] Furthermore, the metal-free organic light-emitting materials can be a cheap and biocompatible alternative to inorganic ones for application in wearable, implantable, or in vivo medical applications, such as for sensing of body temperature, heart and respiration rates, blood pressure, glucose level, and oxygenation. [7] In the search for ever-higher efficiencies, several classes of materials have been investigated, such as perovskite-structured methylammonium lead halides, [8][9][10] quantum dots, [11] and organometallic phosphorescent complexes. [12][13][14][15][16][17][18][19] However, although such hybrid materials afford substantial electroluminescence (EL) external quantum efficiency (EQE) in the NIR, in some cases exceeding 10% [8,10] or even 20% or so, [13] their use of heavy, toxic, and/or costly metals is not ideal for manufacturing, sustainability, environmental impact, and, in perspective, biocompatibility. Furthermore, in such hybrid systems, and in general in materials that leverage triplet excitons to boost the EQE, [20,21] exciton recombination dynamics typically fall in the hundreds of nanoseconds or even in the microsecond (or longer) range, which intrinsically limits the bandwidth when integrated in devices for telecommunications. For Li-Fi applications, [2][3][4] fluorescent molecular and polymeric materials are preferred, given that the typical fluorescence lifetime of these materials is of the order of few nanoseconds or less, thereby ideally allowing data transmission rates up to the Gb s −1 regime.In the last decade, scientists have attempted different strategies to develop heavy-metal-free NIR fluorescent organic light-emitting diodes (OLEDs), with chemical design essentially revolving around the careful combination of donor and acceptor groups to both tune the spectral range (up to 1000 nm) and maximize the EQE. [22][23][24][25][26][27][28][29][30][31][32][33] Very recently, we have, for Due to the so-called energy-gap law and aggregation quenching, the efficiency of organic light-emitting diodes (OLEDs) emitting above 800 nm is significantly lower than that of visible ones. Successful exploitation of triplet emission in phosphorescent materials containing heavy metals has been reported, with OLEDs achieving remarkable external quantum efficiencies (EQEs) up to 3.8% (peak wavelength > 800 nm). For OLEDs incorporating f...

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Section: Methodsmentioning

confidence: 99%

Efficient Near‐Infrared Electroluminescence at 840 nm with “Metal‐Free” Small‐Molecule:Polymer Blends

et al. 2018

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“…Interconversion of electrode potentials between different reference electrodes is a problematic issue unless similar experimental conditions, for example electrolyte concentration, ionic strength, and solvents, are used during the redox potential determinations [32,33]. To illustrate the effect of ionic-strength on the Fc/Fc + potentials, different electrolyte concentrations were investigated and reported.…”

Section: Non-aqueous Solutionsmentioning

confidence: 99%

Computational Redox Potential Predictions: Applications to Inorganic and Organic Aqueous Complexes, and Complexes Adsorbed to Mineral Surfaces

Arumugam

Becker

2014

Minerals

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Abstract:Applications of redox processes range over a number of scientific fields. This review article summarizes the theory behind the calculation of redox potentials in solution for species such as organic compounds, inorganic complexes, actinides, battery materials, and mineral surface-bound-species. Different computational approaches to predict and determine redox potentials of electron transitions are discussed along with their respective pros and cons for the prediction of redox potentials. Subsequently, recommendations are made for certain necessary computational settings required for accurate calculation of redox potentials. This article reviews the importance of computational parameters, such as basis sets, density functional theory (DFT) functionals, and relativistic approaches and the role that physicochemical processes play on the shift of redox potentials, such as hydration or spin orbit coupling, and will aid in finding suitable combinations of approaches for different chemical and geochemical applications. Identifying cost-effective and credible computational approaches is essential to benchmark redox potential calculations against experiments. Once a good theoretical approach is found to model the chemistry and thermodynamics of the redox and electron transfer process, this knowledge can be incorporated into models of more complex reaction mechanisms that include diffusion in the solute, surface diffusion, and dehydration, to name a few. This knowledge is important to fully understand the nature of redox processes be it a geochemical process that dictates natural redox reactions or one that is being used for the optimization of a chemical process in industry. In addition, it will help identify materials that will be useful to design catalytic OPEN ACCESSMinerals 2014, 4 346 redox agents, to come up with materials to be used for batteries and photovoltaic processes, and to identify new and improved remediation strategies in environmental engineering, for example the reduction of actinides and their subsequent immobilization. Highly under-investigated is the role of redox-active semiconducting mineral surfaces as catalysts for promoting natural redox processes. Such knowledge is crucial to derive process-oriented mechanisms, kinetics, and rate laws for inorganic and organic redox processes in nature. In addition, molecular-level details still need to be explored and understood to plan for safer disposal of hazardous materials. In light of this, we include new research on the effect of iron-sulfide mineral surfaces, such as pyrite and mackinawite, on the redox chemistry of actinyl aqua complexes in aqueous solution.

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“…The electrochemistry of 1-5 was assessed through cyclic voltammetry (CV) studies in deaerated MeCN solution containing n-NBu 4 PF 6 as the supporting electrolyte and using Fc/Fc + as an internal standard at 298 K. All potentials are referenced to NHE (Fc/Fc + = 0.63 V in MeCN). 24 The electrochemistry data, obtained at a scan rate of 50 mV s -1 , are shown in Table 2. The CV behavior was largely reproducible at faster scan rates of 100, 200 and 1000 mV s -1 .…”

Section: Solution State Structuresmentioning

confidence: 99%

Cationic Platinum(II) Complexes Bearing Aryl-BIAN Ligands: Synthesis and Structural and Optoelectronic Characterization

et al. 2014

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Conversion constants for redox potentials measured versus different reference electrodes in acetonitrile solutions at 25°C

Cited by 1,318 publications

References 64 publications

Efficient Near‐Infrared Electroluminescence at 840 nm with “Metal‐Free” Small‐Molecule:Polymer Blends

Efficient Near‐Infrared Electroluminescence at 840 nm with “Metal‐Free” Small‐Molecule:Polymer Blends

Computational Redox Potential Predictions: Applications to Inorganic and Organic Aqueous Complexes, and Complexes Adsorbed to Mineral Surfaces

Cationic Platinum(II) Complexes Bearing Aryl-BIAN Ligands: Synthesis and Structural and Optoelectronic Characterization

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