Journal of Physical Organic Chemistry
© John Wiley & Sons Ltd
Editor-in-Chief: Luis Echegoyen
Impact Factor: 1.515
ISI Journal Citation Reports © Ranking: 2015: 36/59 (Chemistry Organic); 102/144 (Chemistry Physical)
Online ISSN: 1099-1395
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|JPOC Award for Early Excellence|
Congratulations to the 2015 Award winner: Adam Braunschweig
Assistant Professor of Chemistry in the UM College of Arts & Sciences Adam Braunschweig creates structures intended to mimic the cell surface, building minute machines atom by atom. His pioneering and painstaking work has been recognized by the Journal of Physical Organic Chemistry, which awarded him the 2015 Award for Early Excellence in Physical Organic Chemistry.
Recently Published Articles
- Effect of bromine substituent on optical properties of aryl compounds
Chao-Zhi Zhang, Ting Li, Yang Yuan, Cheng-Yue Gu, Meng-Xiao Niu and Hui Cao
Version of Record online: 28 JUL 2016 | DOI: 10.1002/poc.3620
Ultraviolet-visible spectra of bromine-containing compounds exhibit obvious redshifts of the maximal absorption wavelengths and enhanced absorbance compared with corresponding reference compounds. The lowest unoccupied and highest occupied molecular orbital energy levels of compounds containing bromine substituents are 0.05 to 0.60 and 0.02 to 0.40 eV lower than those of corresponding reference compounds. Therefore, this paper suggests a useful way for tuning optical absorption and molecular orbital energy levels of aryl compounds.
- An experimental investigation of substituent effects on the formation of 2,3-dihydroquinazolin-4(1H)-ones: a kinetic study
Bahareh Mostafa, Sayyed Mostafa Habibi-Khorassani and Mehdi Shahraki
Version of Record online: 28 JUL 2016 | DOI: 10.1002/poc.3616
The main purpose of this study is to obtain comprehensive overview on kinetic behavior of the formation reaction of 2,3-dihydroquinazolin-4(1H)-ones along with an investigation of action of particular substituents in altering the rate and kinetic parameters of the reaction. Moreover, the proposed mechanism was challenged because of the determination of rate determining step (RDS) and also to obtain the general rate law of the reaction.
- Concentration-dependent solvent effect on the SNAr reaction between 1-fluoro-2,4-dinitrobenzene and morpholine
Arun Valvi and Shraeddha Tiwari
Version of Record online: 26 JUL 2016 | DOI: 10.1002/poc.3615
Solvent effect on SNAr reaction between 1-fluoro-2,4-dinitrobenzene and morpholine in water-acetonitrile mixtures is observed to depend upon the concentration of amine. The anomaly originates from the competition between rate-limiting proton transfer and fluoride abstraction step in the SNAr mechanism.
- Photochromism of dihydroindolizines Part XIX. Efficient one-pot solid-state synthesis, kinetic, and computational studies based on dihydroindolizine photochromes
Saleh A. Ahmed, Nizar El Guesmi, Basim H. Asghar, François Maurel, Ismail I. Althagafi, Khalid S. Khairou and Hussni A. Muathen
Version of Record online: 25 JUL 2016 | DOI: 10.1002/poc.3614
The computational and experimental results suggest that the decoloration reaction is a two-step mechanism. The first step corresponds to the transoid-cisoid isomerization with an activation barrier of 10.3 kJ mol−1, and the second step is the ring closure from the cisoid intermediate with a barrier of 71.3 kJ mol−1, which represents the rate-determining step for thermal decoloration.
- Intermediates in the cleavage of endoperoxides
Marcel Bauch, Matthias Klaper and Torsten Linker
Version of Record online: 14 JUL 2016 | DOI: 10.1002/poc.3607
Endoperoxides 1 are cleaved under various conditions by different pathways, resulting in several intermediates, depending on substituents R. Thermolysis proceeds via radicals, whereas bases or acids afford alkoxides or carbenium ion intermediates. Parental anthracenes 2, anthraquinone 3, or reactive oxygen species 4 and 5 have been isolated or detected as products, opening the door to tailored sources of reactive oxygen species.