Physical organic chemistry, the study of the underlying principles and rationale of organic reactions which looks at the interrelationships between the structure and reactivity of organic molecules, now encompasses a wider range of contexts than ever before.
Making use of tools such as chemical kinetics, quantum chemistry, thermochemistry, chemical equilibrium and computational chemistry, to name but a few, researchers are investigating topics such as:
• Supramolecular interactions, aggregation and reactivity
• The computation of transition states and mechanisms
• Molecular recognition, reactions and catalysis in biology
• Materials where molecular structure controls function
• Structure activity correlations
• Mechanisms in synthesis and catalysis
To highlight some of the cutting edge research that ChemComm, Chemical Science and Organic & Biomolecular Chemistry receive we have collected a selection of articles for you to enjoy. These will be free to access until 25th September!
On a so-called “kinetic anomeric effect” in chemical glycosylation, Ian Cumpstey, Org. Biomol. Chem., 2012, 10, 2503-2508
An experimental estimate of the relative aromaticity of the cyclooctatetraene dianion by fusion to dimethyldihydropyrene, Reginald H. Mitchell, Pengrong Zhang, David J. Berg and Richard Vaughan Williams, Chem. Commun., 2012, 48, 8144-8146
Mechanistic understanding of Rh-catalyzed N-sulfonylaldimine insertion into aryl C–H bonds, Yang Li, Xi-Sha Zhang, Hu Li, Wen-Hua Wang, Kang Chen, Bi-Jie Li and Zhang-Jie Shi, Chem. Sci., 2012, 3, 1634-1639
Tunnelling control of chemical reactions – the organic chemist’s perspective, David Ley, Dennis Gerbig and Peter R. Schreiner, Org. Biomol. Chem., 2012, 10, 3781-3790
Understanding (the lack of) homolytic substitution chemistry of sulfones, Heather M. Aitken, Amber N. Hancock and Carl H. Schiesser, Chem. Commun., 2012, 48, 8326-8328
Comparing the ultraviolet photostability of azole chromophores, Gareth M. Roberts, Craig A. Williams, Martin J. Paterson, Susanne Ullrich and Vasilios G. Stavros, Chem. Sci., 2012, 3, 1192-1199
Kinetics and mechanism of the anilinolyses of aryl dimethyl, methyl phenyl and diphenyl phosphinates, Nilay Kumar Dey, Chan Kyung Kim and Hai Whang Lee, Org. Biomol. Chem., 2011, 9, 717-724
The role of thermodynamics and kinetics in ligand binding to G-quadruplex DNA, Ben Corry and Nicole M. Smith, Chem. Commun., 2012, 48, 8958-8960
Kinetic correlation between aldehyde/enamine stereoisomers in reactions between aldehydes with α-stereocenters and chiral pyrrolidine-based catalysts, Jordi Burés, Alan Armstrong and Donna G. Blackmond, Chem. Sci., 2012, 3, 1273-1277
How reliable are DFT transition structures? Comparison of GGA, hybrid-meta-GGA and meta-GGA functional, Luis Simón and Jonathan M. Goodman, Org. Biomol. Chem., 2011, 9, 689-700
Solvent-controlled switch of selectivity between sp2 and sp3 C–H bond activation by platinum(II), Alexander W. Garner, Caleb F. Harris, Dileep A. K. Vezzu, Robert D. Pike and Shouquan Huo, Chem. Commun., 2011, 47, 1902-1904
Novel [4 + 2] cycloaddition reactions of alkyne and enyne key-units: Direct access to bicyclic aromatic and heteroaromatic products. A theoretical mechanistic study, Valentine P. Ananikov and Evgeniy G. Gordeev, Chem. Sci., 2011, 2, 2332-2341
Effect of substituents on the stabilities of multiply-substituted carbon-centered radicals, Ambili S. Menon, David J. Henry, Thomas Bally and Leo Radom, Org. Biomol. Chem., 2011, 9, 3636-3657
Pronounced pH effects on the kinetics of cucurbit[7]uril-based pseudorotaxane formation and dissociation, Angel E. Kaifer, Wei Li, Serena Silvi and Vladimir Sindelar, Chem. Commun., 2012, 48, 6693-6695
Mechanism of UV-induced Dewar lesion repair catalysed by DNA (6-4) photolyase, Benjamin P. Fingerhut, Korbinian Heil, Emine Kaya, Sven Oesterling, Regina de Vivie-Riedle and Thomas Carell, Chem. Sci., 2012, 3, 1794-1797
The activation strain model of chemical reactivity, Willem-Jan van Zeist and F. Matthias Bickelhaupt, Org. Biomol. Chem., 2010, 8, 3118-3127
Photochemical studies on aromatic γ,δ-epoxy ketones: efficient synthesis of benzocyclobutanones and indanones, Yutian Shao, Chao Yang, Weijun Gui, Yang Liu and Wujiong Xia, Chem. Commun., 2012, 48, 3560-3562
Mechanistic considerations of guanidine-catalyzed reactions, Xiao Fu and Choon-Hong Tan, Chem. Commun., 2011, 47, 8210-8222
