Journal of Physical Organic Chemistry

Cover image for Vol. 29 Issue 2

Editor-in-Chief: Luis Echegoyen

Impact Factor: 1.38

ISI Journal Citation Reports © Ranking: 2014: 37/58 (Chemistry Organic); 98/139 (Chemistry Physical)

Online ISSN: 1099-1395

Recently Published Issues

See all

What's New?

The Smart Article: Introducing new and enhanced article tools for chemistry content

The Smart Article is now live on Chemistry: An Asian Journal and Chirality, Applied Organometallic Chemistry and Journal of Physical Organic Chemistry.

Watch 'The Smart Article in Action' and find out how these new features can aid your research. Simply click on the image below:

The Smart Article in Action

For an overview of the new features click here, for frequently asked questions click here.

JPOC Award for Early Excellence

franziska schoenebeck

Congratulations to the 2014 Award winner: Franziska Schoenebeck

Since 2013 she has been working at RWTH Aachen University where she is currently based. Franziska’s group uses a three-pronged attack of experiments, spectroscopy, and computational chemistry to provide fantastic new insight into catalytic processes.



Take advantage and enjoy free access to the hottest articles in organic chemistry

hottest articles

Recently Published Articles

  1. Experimental (FT-IR) and theoretical (DFT) studies on prototropy and H-bond formation for pyrazine-2-amidoxime

    Angelika Głębocka, Ewa D. Raczyńska, Agnieszka Chylewska and Mariusz Makowski

    Article first published online: 4 FEB 2016 | DOI: 10.1002/poc.3538

    Thumbnail image of graphical abstract

    Structural studies with the use of both experimental and theoretical methods on pyrazine-2-amidoxime (PAOX) were shown and discussed. All possible and stable tautomeric forms [(including, for each tautomer, all possible configurations and conformations (isomers-rotamers)] of PAOX were considered. It was found that PAOX formed the intermolecular hydrogen bond with HMPA. The energy barriers of the transitions from the Z(A1) to E(A7) and A1 to A5 conformations, respectively, were computed. These values confirmed that A1 was also found thermodynamically stable.

  2. Excited-state hydrogen bond strengthening of coumarin 153 in ethanol solvent: a TDDFT study

    Jinmei Xu, Junsheng Chen, Shunle Dong, Aiping Fu, Hongliang Li and Tianshu Chu

    Article first published online: 1 FEB 2016 | DOI: 10.1002/poc.3537

    Thumbnail image of graphical abstract

    We theoretically investigate the property of the hydrogen bond of C153-EtOH complex in the aspects of the frontier molecular orbital, optimized structures, steady-state absorption and fluorescence spectra, and infrared vibrational spectra. The results suggest that the strengthening of C=O⋯H-O induces a redshift of 7 nm in UV-Vis absorption spectra and energy gap between HOMO and LUMO is deceased in C153-EtOH complex as well as the S1 state of C153-EtOH is a locally excited state.

  3. Kinetics and mechanism of the reaction between 3-methylbenzenediazonium ions and catechol

    Katarzyna Jaszczuk, Anna Dudzik, Sonia Losada-Barreiro, Marta Szymula, Jolanta Narkiewicz-Michalek and Carlos Bravo-Díaz

    Article first published online: 28 JAN 2016 | DOI: 10.1002/poc.3536

    Thumbnail image of graphical abstract

    The non-zeron, pH dependent, intercepts of the saturation kinetics suggest a mechanism of the type.

  4. Basicity of the polydentate captodative aminoenones. Ab initio, DFT, and FTIR study

    E. V. Kondrashov, L. P. Oznobikhina, T. N. Aksamentova, N. N. Chipanina, A. R. Romanov and A. Yu. Rulev

    Article first published online: 26 JAN 2016 | DOI: 10.1002/poc.3532

    Thumbnail image of graphical abstract

    Electron donating ability of the oxygen, nitrogen, and carbon atoms of captodative aminoenones was investigated using ab initio and DFT calculations, NBO analysis, and FTIR spectroscopy. The influence of both EWG and double bond substituents on the proton affinity of the basic centers and the orbital interaction energies between heteroatoms and double bonds is discussed.

  5. Properties of AOT reverse micelle interfaces with different polar solvents

    M. Alejandra Luna, N. Mariano Correa, Juana J. Silber, R. Dario Falcone and Fernando Moyano

    Article first published online: 25 JAN 2016 | DOI: 10.1002/poc.3535

SEARCH

SEARCH BY CITATION