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Albert J. Fry

Bio: Albert J. Fry is an academic researcher from Wesleyan University. The author has contributed to research in topics: Acetic acid & Ion. The author has an hindex of 25, co-authored 161 publications receiving 2517 citations.


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TL;DR: A more rigorous theoretical treatment of methods previously used to correlate computed energy values with experimental redox potentials, combined with the availability of well-developed computational solvation methods, results in a shift away from computing ionization potentials/electron affinities in favor of computing absolute reduction potentials.
Abstract: A more rigorous theoretical treatment of methods previously used to correlate computed energy values with experimental redox potentials, combined with the availability of well-developed computational solvation methods, results in a shift away from computing ionization potentials/electron affinities in favor of computing absolute reduction potentials. Seventy-nine literature redox potentials measured under comparable conditions from 51 alternant and nonalternant polycyclic aromatic hydrocarbons are linearly correlated with their absolute reduction potentials computed by density functional theory (B3LYP/6-31+G(d)) with SMD/IEF-PCM solvation. The resulting correlation is very strong (R2 = 0.9981, MAD = 0.056 eV). When extrapolated to the x-intercept, the correlation results in an estimate of 5.17 ± 0.01 eV for the absolute potential of the ferrocene−ferrocenium redox couple in acetonitrile at 25 °C, indicating that this simple method can be used reliably for both calculating absolute redox potentials and for...

95 citations

Journal ArticleDOI
TL;DR: In this article, the ion-pairing effect of 1-butyl-3-methylimidazolium tetrafluoroborate ion cation was investigated.

95 citations

BookDOI
01 Jan 1986
TL;DR: The Electrochemistry of Nonbenzenoid Hydrocarbons and their applications in organic chemistry are discussed in this paper, with a focus on transition metal organometallic compounds and organic photoelectrochemistry.
Abstract: The Electrochemistry of Nonbenzenoid Hydrocarbons.- Electrochemical Applications in Organic Chemistry.- The Electrochemistry of Transition Metal Organometallic Compounds.- Organic Photoelectrochemistry.- Structural Effects in Organic Electrochemistry.- Modified Electrodes.

84 citations

Journal ArticleDOI
TL;DR: A simple experimental method for the determination of the acidic HA bond dissociation energy (BDE) derived from a thermodynamic cycle, has been reviewed in this article, based on measurements of the equilibrium acidities of the molecules and the oxidation potentials of their conjugate anions in DMSO.

75 citations


Cited by
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TL;DR: This review discusses advances in synthetic organic electrochemistry since 2000 with enabling methods and synthetic applications analyzed alongside innate advantages as well as future challenges of electroorganic chemistry.
Abstract: Electrochemistry represents one of the most intimate ways of interacting with molecules. This review discusses advances in synthetic organic electrochemistry since 2000. Enabling methods and synthetic applications are analyzed alongside innate advantages as well as future challenges of electroorganic chemistry.

1,930 citations

Journal ArticleDOI
TL;DR: In this paper, the synthesis, properties, functions and potential applications for electronic and optoelectronic devices of photo-and electro-active organic materials are discussed, including amorphous molecular materials, titanyl phthalocyanine, oligothiophenes with well-defined structures, and non-conjugated polymers containing pendant oligothophenes or other π-electron systems.
Abstract: This article concentrates on our recent results on several classes of photo- and electro-active organic materials that permit thin film formation and discusses their synthesis, properties, functions and potential applications for electronic and optoelectronic devices. The materials studied include amorphous molecular materials, titanyl phthalocyanine, oligothiophenes with well-defined structures, and non-conjugated polymers containing pendant oligothiophenes or other π-electron systems. The thin films of these materials find potential applications for use in organic electroluminescent, photovoltaic, electrochromic, and other devices.

1,572 citations