Physical-Organic Chemistry And its Interactions with Other Sciences

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  • Author: ChemPlusChem
  • Published Date: 23 August 2013
  • Source / Publisher: ChemPlusChem/Wiley-VCH
  • Copyright: Wiley-VCH Verlag GmbH & Co. KGaA
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The original chairman of ESOR 2013 organizing committee, Detlef Schröder, suddenly passed away in August 2012. The symposium will be dedicated to his memory, and there will be a half-day memorial session.

dedicates a special issue to Schröder who served on the journal's Editorial Board. The guest Editor Professor Zdenek Havlas, Academy of Sciences of the Czech Republic, invited a first-rate selection of scientists for the issue. These top papers can be read for free from August 23rd to September 13th.

Left to right: Zdenĕk Havlas, Jana Roithová, Jiří Čejka.

A Special Issue Dedicated to the Memory of Detlef Schröder

  • Azahelicene Superbases as MAILD Matrices for Acidic Analytes


Mayuri Napagoda, Lubomír Rulíšek, Andrej Jančarík, Jirí Klívar, Michal Šámal, Irena G. Stará, Ivo Stary, Veronika Šolínová, Václav Kašička, Aleš Svatoš*

Published online on August 19, 2013.
DOI: 10.1002/cplu.201300258

  • Evidence for an Intermediate in the Methylation of CB11H12 with Methyl Triflate: Comparison of Electrophilic Substitution in Cage Boranes and in Arenes

[Full Paper]

Jirí Kaleta, Akin Akdag, Raül Crespo, Mari-Carmen Piqueras, Josef Michl*

Published online on August 19, 2013.
DOI: 10.1002/cplu.201300219

  • Homotropic Allosterism: In-Depth Structural Analysis of the Gas-Phase Noncovalent Complexes Associating a Double-Cavity Cucurbit[n]uril-Type Host and Size-Selected Protonated Amino Compounds

[Full Paper]

Vincent Lemaur, Glenn Carroy, Frédéric Poussigue, Fabien Chirot, Julien De Winter, Lyle Isaacs, Philippe Dugourd, Jérôme Cornil, Pascal Gerbaux*

Published online on July 8, 2013.
DOI: 10.1002/cplu.201300208

  • The Semiempirical Quantum Mechanical Scoring Function for In Silico Drug Design


Martin Lepšík, Jan Rezáč, Michal Kolár, Adam Pecina, Pavel Hobza, Jindrich Fanfrlík*

Published online on August 13, 2013.
DOI: 10.1002/cplu.201300199

  • Adsorption of Polar and Nonpolar Molecules on Isolated Cationic C60, C70, and Their Aggregates


Olof Echt*, Alexander Kaiser, Samuel Zöttl, Andreas Mauracher, Stephan Denifl, Paul Scheier*

Published online on July 31, 2013.
DOI: 10.1002/cplu.201300198

  • Structure–Property Relationships of Fe4S4 Clusters

[Full Paper]

Maike Bergeler, Martin T. Stiebritz, Markus Reiher*

Published online on July 19, 2013.
DOI: 10.1002/cplu.201300186

  • Iron Azides with Cyclam-Derived Ligands: Are They Precursors for High-Valent Iron Nitrides in the Gas Phase?

[Full Paper]

Oliver Krahe, Frank Neese*, Marianne Engeser*

Published online on July 5, 2013.
DOI: 10.1002/cplu.201300182

  • Si···H Interligand Interactions in Cobalt(V) and Iridium(V) Bis(silyl)bis(hydride) Complexes

[Full Paper]

Yevhen Horbatenko, Sergei F. Vyboishchikov*

Published online on July 16, 2013.
DOI: 10.1002/cplu.201300174

  • Chemical Reactivity Assessment Using Reactive Paper Spray Ionization Mass Spectrometry: The Katritzky Reaction

[Full Paper]

Xin Yan, Rodinei Augusti, Xin Li, R. Graham Cooks*

Published online on August 5, 2013.
DOI: 10.1002/cplu.201300172

  • Dualism of Ion-Pairing Effects in Nucleophilic Vinylic Substitution with Transition-Metal Carbonyl Anions

[Full Paper]

Petr K. Sazonov*, Irina P. Beletskaya

Published online on August 19, 2013.
DOI: 10.1002/cplu.201300171

  • Reduction of Acetonitrile by Hydrated Magnesium Cations Mg+(H2O)n (n≈20–60) in the Gas Phase

[Full Paper]

Tim-Wai Lam, Christian van der Linde, Amou Akhgarnusch, Qiang Hao, Martin K. Beyer*, Chi-Kit Siu*

Published online on July 19, 2013.
DOI: 10.1002/cplu.201300170

  • Exploiting the Twofold Donor Ability of Carbodiphosphoranes: Theoretical Studies of [(PPh3)2C→EH2]q (Eq=Be, B+, C2+, N3+, O4+) and Synthesis of the Dication [(Ph3P)2C=CH2]2+

[Full Paper]

Mehmet Ali Celik, Gernot Frenking*, Bernhard Neumüller*, Wolfgang Petz*

Published online on July 2, 2013.
DOI: 10.1002/cplu.201300169

  • Theoretical Study of Substituent Effects on the Gas-Phase Acidities of Benzoic and Phenylacetic Acids

[Full Paper]

Kazuhide Nakata*, Mizue Fujio, Kichisuke Nishimoto, Yuho Tsuno

Published online on July 26, 2013.
DOI: 10.1002/cplu.201300167

  • Modeling Interactions between an Amino Acid and a Metal Dication: Cysteine–Calcium(II) Reactions in the Gas Phase

[Full Paper]

Marcela Hurtado, Manuel Monte, Al Mokhtar Lamsabhi*, Manuel Yáñez, Otilia Mó, Jean-Yves Salpin*

Published online on July 24, 2013.
DOI: 10.1002/cplu.201300166

  • Differences in Cucurbit[7]uril: Surfactant Complexation Promoted by the Cationic Head Group

[Full Paper]

Márcia Pessêgo, José P. Da Silva, José A. Moreira, Luis García-Río*

Published online on July 4, 2013.
DOI: 10.1002/cplu.201300164

  • Selective Activation of C–Cl and C–F Bonds by SO·+ Radical Cations: An Experimental and Computational Study

[Full Paper]

Giulia de Petris, Anna Troiani*, Marzio Rosi, Giancarlo Angelini, Ornella Ursini

Published online on July 24, 2013.
DOI: 10.1002/cplu.201300162

  • Generation and Dissociation of RCOOCaCl2 and other Carboxylate-Substituted Superhalogens: CO2 Capture and Implications for Structure Analysis

[Full Paper]

Giovanny Rodríguez-Blanco, Karl J. Jobst, Theo M. Luider, Johan K. Terlouw, Peter C. Burgers*

Published online on August 13, 2013.
DOI: 10.1002/cplu.201300161

  • Pentakis(trifluoromethyl)benzenediazonium Cation: A Useful Building Block for the Syntheis of Trifluoromethyl-Substituted Derivatives


Agnes Kütt*, Franz Werner, Ivari Kaljurand, Ivo Leito, Ilmar A. Koppel

Published online on July 10, 2013.
DOI: 10.1002/cplu.201300160

  • Diels–Alder Reaction between Isoprene and Methyl Acrylate over Different Zeolites: Influence of Pore Topology and Acidity

[Full Paper]

Claire Bernardon, Benoît Louis*, Valérie Bénéteau, Patrick Pale*

Published online on August 2, 2013.
DOI: 10.1002/cplu.201300157

  • Energy-Resolved Collision-Induced Dissociation Studies of 2,2′-Bipyridine Complexes of the Late First-Row Divalent Transition-Metal Cations: Determination of the Third-Sequential Binding Energies

[Full Paper]

Holliness Nose, M. T. Rodgers*

Published online on July 24, 2013.
DOI: 10.1002/cplu.201300156

  • Activation of Methane by Os+: Guided-Ion-Beam and Theoretical Studies

[Full Paper]

P. B. Armentrout*, Laura Parke, Christopher Hinton, Murat Citir

Published online on August 19, 2013.
DOI: 10.1002/cplu.201300147

  • Effect of Channel Confinement on the Coarsening Kinetics of Nanoparticles Deposited on Semicrystalline Polymer Templates

[Full Paper]

Mariela J. Pavan, Roy Shenhar*

Published online on July 2, 2013.
DOI: 10.1002/cplu.201300144

  • Thermal Activation of Ammonia by Transition-Metal Hydroxide Cations

[Full Paper]

Robert Kretschmer, Maria Schlangen, Helmut Schwarz*

Published online on June 19, 2013.
DOI: 10.1002/cplu.201300138

  • Synthesis and Characterization of Gold Clusters Ligated with 1,3-Bis(dicyclohexylphosphino)propane

[Full Paper]

Grant E. Johnson*, Thomas Priest, Julia Laskin

Published online on June 28, 2013.
DOI: 10.1002/cplu.201300134

  • Trimethylation and Differential Mobility Spectroscopy in Quantitative Peptide Analysis: Increasing Selectivity and Sensitivity through Ion/Molecule Chemistry

[Full Paper]

Voislav Blagojevic, Diethard K. Bohme*

Published online on July 2, 2013.
DOI: 10.1002/cplu.201300126

  • Mass Spectrometry and Gas-Phase Chemistry of Bismuth–Oxido Clusters

[Full Paper]

Dominik Sattler, Maik Schlesinger, Michael Mehring*, Christoph A. Schalley*

Published online on June 17, 2013.
DOI: 10.1002/cplu.201300122

  • Computational Studies on the Mechanism of the Copper-Catalyzed sp3-C–H Cross-Dehydrogenative Coupling Reaction

[Full Paper]

Gui-Juan Cheng, Li-Juan Song, Yun-Fang Yang, Xinhao Zhang*, Olaf Wiest*, Yun-Dong Wu*

Published online on June 21, 2013.
DOI: 10.1002/cplu.201300117

  • Is There B–N Bond-Length Alternation in 1,2:3,4:5,6-Tris(biphenylylene)borazines?

[Full Paper]

Matthias Müller, Cäcilia Maichle-Mössmer, Peter Sirsch, Holger F. Bettinger*

Published online on May 17, 2013.
DOI: 10.1002/cplu.201300110

  • Multifunctional Macrocyclic Receptors as Templates for Aromatic Amino Acids: A Rare Example of a Highly Selective Multi-Input Multi-Output Chemo-“Logic Gate”

[Full Paper]

Caterina Fraschetti, Antonello Filippi, Maria Elisa Crestoni, Tadashi Ema, Maurizio Speranza*

Published online on May 6, 2013.
DOI: 10.1002/cplu.201300086

  • The Ionic Hydrogen/Deuterium Bonds between Diammoniumalkane Dications and Halide Anions

[Full Paper]

Maria Demireva, Jos Oomens, Giel Berden, Evan R. Williams*

Published online on May 31, 2013.
DOI: 10.1002/cplu.201300084

  • Structure and Reactivity of the Glutathione Radical Cation: Radical Rearrangement from the Cysteine Sulfur to the Glutamic Acid α-Carbon Atom

[Full Paper]

Sandra Osburn, Giel Berden, Jos Oomens, Kerim Gulyuz, Nick C. Polfer, Richard A. J. O´Hair, Victor Ryzhov*

Published online on May 2, 2013.
DOI: 10.1002/cplu.201300057

  • Can Semi-empirical Calculations Help Solve Mass Spectrometry Problems? Protonation Sites and Proton Affinities of Amino Acids

[Full Paper]
Paulo J. Amorim Madeira,* Pedro D. Vaz, R. J. N. Bettencourt da Silva, M. Helena Florêncio

Published online on August 13, 2013.
DOI: 10.1002/cplu.201300173

  • Interaction between the Cesium Cation and Cesium Carboxylates: An Extended Cs+ Basicity Scale

[Full Paper]

Charly Mayeux, Jaana Tammiku-Taul, Lionel Massi, Jean-François Gal,* Peeter Burk*

Published online on August 26, 2013.
DOI: 10.1002/cplu.201300181

Back row, left to right: Rivera Hernandez, Jindrich Fanfrlík,* Veronika Solinova, Raül Crespo,* Mari-Carmen Piqueras,* Jan Rezáč,* Ivo Stary,* Irena Stará,* Václav Kašička,* Zdenĕk Havlas, Josef Michl,* Ivari Kaljurand,* Marianne Engeser,* Jeremy Harvey, Maurizio Speranza,* Kazuhide Nakata,* Simonet Fornarin; front row, left to right: Jirí Klívar,* Michal Kolár,* Michal Šámal,* Daniela Ascenzi, Simone Tomasi, Monica Barra, Sergei Vyboishchikov,* Petr K. Sazonov.*
Contributing authors are indicated with an asterisk.

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