Journal of Physical Organic Chemistry

Cover image for Vol. 30 Issue 7

Editor-in-Chief: Luis Echegoyen

Impact Factor: 1.336

ISI Journal Citation Reports © Ranking: 2016: 38/59 (Chemistry Organic); 109/145 (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. Singlet oxygen production and in vitro phototoxicity studies on fenofibrate, mycophenolate mofetil, trifusal, and their active metabolites

    Oscar Molins-Molina, Roger Bresolí-Obach, Guillermo Garcia-Lainez, Inmaculada Andreu, Santi Nonell, Miguel A. Miranda and M. Consuelo Jiménez

    Version of Record online: 21 JUN 2017 | DOI: 10.1002/poc.3722

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    Time-resolved near-infrared emission measurements and 3T3 neutral red uptake assays have been performed for the title compounds.

  2. Computational design of tetrazolone-based high-energy density energetic materials: Property prediction and decomposition mechanism

    Ying Shi

    Version of Record online: 20 JUN 2017 | DOI: 10.1002/poc.3733

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    The fascinating tetrazolone-based compounds and their energetic properties as well as decomposition mechanisms have been reported firstly, and they may be very promising candidates of green high-energy density materials.

  3. A natural bond orbital analysis of aryl-substituted polyfluorinated carbanions: negative hyperconjugation

    Masahiko Suenaga, Kazuhide Nakata, José-Luis M. Abboud and Masaaki Mishima

    Version of Record online: 20 JUN 2017 | DOI: 10.1002/poc.3721

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    Aryl-substituted polyfluorinated carbanions, ArCHRf where Rf = CF3 (1), C2F5 (2), i-C3F7 (3), and t-C4F9 (4), were analyzed by means of the natural bond orbital (NBO) theory. The donor/acceptor NBO interaction energies, E(2), for (C-C1) [RIGHTWARDS ARROW] *(C-F) or (C-C) were related to negative hyperconjugation of the C-F and C-C bonds.

  4. Solvent controlling excited state proton transfer reaction in quinoline/isoquinoline-pyrazole isomer QP-I: A theoretical study

    Dapeng Yang, Guang Yang, Jinfeng Zhao, Nahong Song, Rui Zheng and Yusheng Wang

    Version of Record online: 19 JUN 2017 | DOI: 10.1002/poc.3729

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    The strengthened hydrogen bond provides the tendency of excited state intramolecular protontransfer (ESIPT) reaction.The redistribution of charge in both acetonitrile and cyclohexanereveals the ESIPT process. Solvent polarity could control and regulate the ESIPT reaction for QP-I system.

  5. An effective tridental molecular clip for fullerenes

    Pablo A. Denis, Michael Kramer, Catherine Lee and Michael Yanney

    Version of Record online: 19 JUN 2017 | DOI: 10.1002/poc.3727

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    The construction of fullerene receptors featuring 3 corannulene pincers is challenging because they tend to form intramolecular pi-stacked structures. Here, we present a tridental structure, which according to first principle calculations, is expected to bind C60 with unprecedented affinity.