Valence isomerization of cyclohepta-1,3,5-triene and its heteroelement analogues

• Helen Jansen,
• J. Chris Slootweg and
• Koop Lammertsma

Beilstein J. Org. Chem. 2011, 7, 1713–1721, doi:10.3762/bjoc.7.201

• to date only the parent oxepine has been isolated. The generation of these (transient) heterocycles allowed the development of a rich chemistry, which has been extensively explored using the full toolbox of physical organic chemistry. NICS(0) values of fluorinated heteropines. Stabilized thiepines 15

Predicting the UV–vis spectra of oxazine dyes

• Scott Fleming,
• Andrew Mills and
• Tell Tuttle

Beilstein J. Org. Chem. 2011, 7, 432–441, doi:10.3762/bjoc.7.56

• λmax values at different levels of theory.a Orbital pairs involved in the λmax excitation for each dye.a Counterions of each oxazine dye. Acknowledgements TT thanks the Glasgow Centre of Physical Organic Chemistry for funding.

Kinetics and mechanism of vanadium catalysed asymmetric cyanohydrin synthesis in propylene carbonate

• Michael North and
• Marta Omedes-Pujol

Beilstein J. Org. Chem. 2010, 6, 1043–1055, doi:10.3762/bjoc.6.119

• given. Supporting Information File 172: Analytical data for all chiral compounds. Acknowledgements The authors thank the EPSRC physical organic chemistry initiative for financial support and a studentship (to MOP).

Catalysis: transition-state molecular recognition?

• Ian H. Williams

Beilstein J. Org. Chem. 2010, 6, 1026–1034, doi:10.3762/bjoc.6.117

• catalysed by COMT. SN2 methyl transfer (a) uncatalysed and (b) within a cryptand cavity. Formation of glycosyl-enzyme covalent intermediate COV. Acknowledgements I am grateful to Professor T. M. Krygowski for the invitation to present this material at the Central European School on Physical Organic

• Chemistry, Przesiecka, Poland (June 2010), the theme of which was intermolecular interactions and molecular recognition. I also thank my collaborators, former postdocs and students, as named in the literature citations, for their invaluable contributions over many years to computational studies of

Physical organic chemistry

• John A. Murphy

Beilstein J. Org. Chem. 2010, 6, 1025–1025, doi:10.3762/bjoc.6.116

• John A. Murphy WestCHEM, Department of Pure and Applied Chemistry, University of Strathclyde, 295 Cathedral Street, Glasgow G1 1XL, U.K 10.3762/bjoc.6.116 Physical organic chemistry – the study of the interplay between structure and reactivity in organic molecules – underpins organic chemistry

• , and we cannot imagine organic chemistry as a subject without knowledge of mechanism and reactivity. It is sometimes thought that the golden age of ‘physical organic chemistry’ was in the 20th century, when systematic information about mechanism first burst onto the scene. Certainly the impact of early

• physical organic chemistry and contribute to its continuing importance, an importance that is reflected in the large number of international meetings in physical organic chemistry in the past two years. I am privileged to act as Guest Editor for this Thematic Series of the Beilstein Journal of Organic

Thematic series on supramolecular chemistry

• Christoph A. Schalley

Beilstein J. Org. Chem. 2009, 5, No. 76, doi:10.3762/bjoc.5.76

• Christoph A. Schalley Institut für Chemie und Biochemie der Freien Universität Berlin, Takustr. 3, D-14195 Berlin, Germany 10.3762/bjoc.5.76 “Some might say that supramolecular systems rescued physical organic chemistry. The discovery of crown ethers gave the field new recognition: molecular

• recognition.” [1] As the above citation from a paper by Julius Rebek and his coworkers indicates, supramolecular chemistry at its beginning gave new impetus to physical organic chemistry, which at that time had got trapped in ever more detailed kinetic studies. Early on, the nature of non-covalent