Journal of Physical Organic Chemistry

Cover image for Vol. 27 Issue 7

Editor-in-Chief: Luis Echegoyen

Impact Factor: 1.578

ISI Journal Citation Reports © Ranking: 2012: 35/57 (Chemistry Organic); 86/135 (Chemistry Physical)

Online ISSN: 1099-1395

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JPOC Award for Early Excellence
james PeterssonCongratulations to the 2013 Award winner: Professor E. James Petersson

James Petersson received his undergraduate education at Dartmouth College, where he worked in the labs of David Lemal. He then studied under Dennis Dougherty at the California Institute of Technology. After receiving his Ph.D. from Caltech in 2005, he was an NIH Postdoctoral Fellow at Yale University with Alanna Schepartz. He was appointed as an Assistant Professor at the University of Pennsylvania in 2008 and has been at UPenn since then. James will give his 2013 JPOC Award Lecture at the Gordon Research Conference on Physical Organic Chemistry in June 2013 at the Holdnerness Colleage, New Hampshire, USA.

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  1. The saturated five-membered heterocyclic molecules as organic hydride donors: a computational study

    Shweta Khanna, Damanjit Kaur and Rajinder Kaur

    Article first published online: 8 JUL 2014 | DOI: 10.1002/poc.3334

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    Several five-membered heterocyclic molecules were studied theoretically as organic hydride donors. The density functional theory and ab initio methods were employed to study the direct one-step or multistep sequence suggested for the hydride transfer from the selected molecules: H atom/electron, electron/proton/electron or electron/H atom. Out of the three multistep mechanisms, electron/H atom seems to be a probable pathway in the presence of suitable catalyst/photoreaction that can cause ionization. In the lack of such catalyst/photoreaction, the direct hydride transfer seems to be most probable with the presence of suitable hydride acceptor.

  2. Role of gemini surfactants (m-s-m type; m = 16, s = 4–6) on the reaction of [Zn(II)-Gly-Phe]+ with ninhydrin

    Dileep Kumar, Malik Abdul Rub, Mohd. Akram and Kabir-ud-Din

    Article first published online: 1 JUL 2014 | DOI: 10.1002/poc.3332

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    Absorption spectra of the reaction product of [Zn(II)-Gly-Phe]+ with ninhydrin in the absence and presence of geminis. The spectra of mixtures consisting the reactants in geminis exhibited the same maxima as that of aqueous solution. The spectra contain a broad peak at λmax (=400 nm). Although higher absorbance values were obtained in gemini micellar media. No shift in λmax was detected with surfactants, which indicates that the reaction product formed to be the same as in aqueous.

  3. Supramolecular assemblies of azobenzene-β-cyclodextrin dimers and azobenzene modified polycaprolactones

    Hengchang Ma, Feng Wang, Wenfeng Li, Yuan Ma, Xiaoqiang Yao, Dedai Lu, Yaoxia Yang, Zhe Zhang and Ziqiang Lei

    Article first published online: 1 JUL 2014 | DOI: 10.1002/poc.3331

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    Dumbbell-shaped amphiphiles (AZO-β-CD) were synthesized, and their aggregation behaviors demonstrated that π–π stacking is the driving force for the formation of the bulk-like aggregates, and also H-bonding is the synergistic operation of the force to maintain the aggregates into packed manner. In further study, stable spherical particles are formed by host–guest interactions between AZO-β-CDs and AZO-PCLs, and their self-assemblies are investigated. The results verified that such photo-responsive host–guest system is of potential applications in the controlled delivery systems.

  4. HERON reactions of anomeric amides: understanding the driving force

    Stephen A. Glover and Adam A. Rosser

    Article first published online: 24 JUN 2014 | DOI: 10.1002/poc.3322

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    B3LYP/6-31G(d) calculations with Y = NMe2 instead of OMe increases resonance stabilisation by 4 kcal mol−1 but reduces Erearr for the HERON process by 20 kcal mol−1. HERON reactions of model, fully twisted 1-aza-2-adamantanones support these changes in Erearr. Both effects are due to lower electronegativity of the amino N.

  5. Theoretical insights into the host–guest interactions between [6]cycloparaphenyleneacetylene and its anthracene-containing derivative and fullerene C70

    Kun Yuan, Yi-Jun Guo, Tao Yang, Jing-Shuang Dang, Pei Zhao, Qiao-Zhi Li and Xiang Zhao

    Article first published online: 16 JUN 2014 | DOI: 10.1002/poc.3324

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    Three rather than two kinds of stable configurations on the potential surface of the host–guest complex formed between [6]cycloparaphenyleneacetylene ([6]CPPA) and fullerene C70, in which C70 guest is standing, half-lying, and lying in the cavity of [6]CPPA host, respectively. If alternative between lying and half-lying, then the latter would be prior.