Journal of Physical Organic Chemistry

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Editor-in-Chief: Luis Echegoyen

Impact Factor: 1.336

ISI Journal Citation Reports © Ranking: 2016: 38/59 (Chemistry Organic); 110/146 (Chemistry Physical)

Online ISSN: 1099-1395

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JPOC Award for Early Excellence

Dr. Felix Fischer

Congratulations to the 2017 Award winner: Dr. Felix Fischer

Our research focuses on the rational design, deterministic assembly, and detailed investigation of the physical phenomena emerging from quantum confinement effects in graphene nanomaterials. We pursue a highly integrated multidisciplinary program, founded on synthetic bottom-up approaches toward functional materials with precisely defined structure. We control their assembly into hierarchically ordered architectures, and evaluate inherent physical properties using modern scanning probe techniques across multiple length, time, and energy scales. The technological advancements enabled through our research have sparked the development of low-energy high-performance computing architectures, the next generation of energy conversion nanocatalysts and storage systems, and have established surface mediated chemical transformations as competent synthetic methodologies for target-directed organic synthesis.

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Recently Published Articles

  1. The effect of the structure of the anion of an ionic liquid on the rate of reaction at a phosphorus centre

    Bradley J. Butler and Jason B. Harper

    Version of Record online: 22 FEB 2018 | DOI: 10.1002/poc.3819

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    Ionic liquids containing different anions were investigated as solvents for a nucleophilic reaction at a phosphorus centre. These ionic liquids increased the rate constant for the reaction of ethanol-d6 with diethyl chlorophosphate, and this effect varied significantly with the proportion of the ionic liquid in the reaction mixture. Importantly, the changes in activation enthalpy and activation entropy for the process were found to correlate with the coordination ability of the anion.

  2. Improving the fluorescent probe acridonylalanine through a combination of theory and experiment

    Itthipol Sungwienwong, John J. Ferrie, Joomyung V. Jun, Chunxiao Liu, Taylor M. Barrett, Zachary M. Hostetler, Naoya Ieda, Amara Hendricks, Anand K. Muthusamy, Rahul M. Kohli, David M. Chenoweth, George A. Petersson and E. James Petersson

    Version of Record online: 22 FEB 2018 | DOI: 10.1002/poc.3813

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    To improve the fluorescent amino acid acridonylalanine (Acd), we experimentally and computationally characterized several Acd core derivatives, observing excellent predictability of spectral properties. Aminoacridonylalanine (Aad), a red-shifted variant of Acd, was synthesized and tested in peptide and genetic protein incorporation assays.

  3. Theoretical insight into the excited-state behavior of a novel Compound 1: A TDDFT investigation

    Dapeng Yang, Guang Yang, Min Jia, Xiaoyan Song and Qiaoli Zhang

    Version of Record online: 20 FEB 2018 | DOI: 10.1002/poc.3828

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    ESP and RDG reveal the existence of intramolecular hydrogen bond in the S0 state. The strengthening hydrogen bond in the S1 state facilitates the ESIPT reaction. Potential energy curves reveal the spontaneous ESIPT process in the S1 state.

  4. Calculations of the relative energies of the low-lying electronic states of 2,7-naphthoquinodimethane and 2,7-naphthoquinone. Substitution of oxygen for CH2 is predicted to increase the singlet-triplet energy difference (ΔEST)

    David A. Hrovat, Xue-Bin Wang and Weston Thatcher Borden

    Version of Record online: 20 FEB 2018 | DOI: 10.1002/poc.3824

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    CASPT2 calculations predict that, although 2,7-naphthoquinodimethane (X = CH2) and 2,7-naphthoquinone (X = O) both have triplet ground states, the ordering of the 2 lowest singlet states changes from E(1A1) < E(1B2) for X = CH2 to E(1A1) > E(1B2) for X = O. As a consequence, the substitution of X = O for X = CH2 is calculated to increase the energy difference (ΔEST) between the triplet and the lower of the 2 singlet states.

  5. The shielding effect of the double bond in 2-norbornene and α-pinene and β-pinene

    Eugene P. Mazzola, Joseph B. Lambert and Clark D. Ridge

    Version of Record online: 20 FEB 2018 | DOI: 10.1002/poc.3816

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    Assignments of the chemical shifts of the 7-syn and 7-anti protons in 2-norbornene and of the methyl groups in a-pinene and b-pinene have been determined by means of nuclear Overhauser effects. These results constrain competing theories of the shielding effects of double bonds.