ISRIUM 2017 PROGRAM
1:00 to 5:00 PM: Registration
2:45 PM: Professor Das Thamattoor - Welcome remarks
2:55 PM: Professor Curt Wentrup - History of ISRIUM
| Session 1 | Chair: Prof. Curt Wentrup | |
| Time | Speaker | Topic |
| 3:00 - 4:00 PM PLENARY LECTURE | Em. Prof. Dr. Klaus Müllen Max Planck Institute for Polymer Research, Mainz, Germany | Information Technology needs Organic Chemistry: Graphene Nanoribbons as Molecular Semiconductors |
| 4:00 - 4:35 PM | Prof. Yan Li Chinese Academy of Sciences, China | Multi-dimensional Rylene Dyes for Organic Electronics |
| 4:35 - 5:10 PM | Prof. Dr. Peter Schreiner Justus-Liebig University, Germany | London Dispersion Effects in Molecular Chemistry – Reconsidering Steric Effects |
| 5:10 - 5:35 PM | Coffee Break | |
| Session 2 | Chair: Prof. Dan Singleton | |
| Time | Speaker | Topic |
| 5:35 - 6:10 PM | Prof. Steven Kass University of Minnesota, USA | Charge Assisted Catalysis |
| 6:10 - 6:45 PM | Prof. Jeehiun Lee Rutgers, The State University of New Jersey, USA/ Columbia University, USA | Gas Phase Studies of Catalysis |
| 6:45 - 7:20 PM | Em. Prof. Koop Lammertsma Vrije Universiteit Amsterdam, The Netherlands | Chemistry of White Phosphorus and 1,3-P,N-ligands |
| 7:20 - 7:55 PM | Prof. Curt Wentrup The University of Queensland, Australia | Ketene – Ketene Interconversions |
| 8:00 PM | Welcome Reception |
8:30 AM: Das Thamattoor - Daily Briefing
| Session 3 | Chair: Em. Prof. Leo Radom | |
| Time | Speaker | Topic |
| 8:35 - 9:10 AM | Prof. Dean Tantillo University of California—Davis, USA | Post-Transition State Bifurcations are Gaining Momentum |
| 9:10 - 9:45 AM | Prof. Dan Singleton Texas A&M University, USA | Dynamic Effects and Energy Labeling in Free-Radical Reactions |
| 9:45 - 10:20 AM | Prof. Wes Borden University of North Texas, USA | Some Little-Known Facts about Two Well-Known Molecules Why Are N2 and O2 Surprisingly Unreactive? |
| 10:20 - 10:45 AM | Coffee Break | |
| Session 4 | Chair: Prof. Kim Baldridge | |
| Time | Speaker | Topic |
| 10:45 - 11:20 AM | Prof. Manabu Abe Hiroshima University, Japan | Localized Diradicals in Macrocyclic Ring Systems |
| 11:20 - 11:55 AM | Dr. Laura Zoppi Tianjin University, China | From Charge Transfer Excitations to Charge Transport mediated by Super Atomic Molecular Orbitals |
| 11:55 AM - 12:30 PM | Prof. Takashi Kubo Osaka University, Japan | Spin Structure of Multi-Phenalenyl Radicals |
| 12:30 - 1:45 PM | Lunch Break | |
| Session 5 | Chair: Em. Prof. Thomas Bally | |
| Time | Speaker | Topic |
| 1:45 - 2:20 PM | Prof. Dr. Wolfram Sander Ruhr-Universität Bochum, Germany | Magnetically Bistable Carbenes – Controlling Spin States by Temperature and Light |
| 2:20 - 2:55 PM | Prof. Dr. Udo Brinker University of Vienna, Vienna, Austria/The State University of New York at Binghamton, USA | Using the Foiled-Carbene Concept to Design Diastereoselective Carbenes |
| 2:55 - 3:20 PM | Prof. Dina Merrer Barnard College, USA | Good Behavior is Overrated: Carbene Additions to Strained Bonds |
| 3:20 - 3:45 PM | Coffee Break | |
| Session 6 | Chair: Prof. Dr. Wolfram Sander | |
| Time | Speaker | Topic |
| 3:45 - 4:20 PM | Em. Prof. Dr. Herbert Mayer Ludwig-Maximilians-Universität München, Germany | When are Carbocations Reactive Intermediates? |
| 4:20 - 4:45 PM | Prof. Paul Rablen Swarthmore College, USA | How Does Alkylation at Different Positions Affect Allylic and Pentadienyl Carbocations? |
| 4:45 - 5:20 PM | Dr. David Martin CNRS/Université Grenoble-Alpes, France | The quest for stable oxyallyl derivatives |
| 5:20 - 5:45 PM | Coffee Break | |
| Session 7 | Chair: Prof. Jay Siegel | |
| Time | Speaker | Topic |
| 5:45 - 6:20 PM | Prof. Marcin Stepien Uniwersytet Wrocławski Poland | Bending Aromatic Molecules with Transition Metal-Mediated Reactions. The Fold-in Method and Beyond |
| 6:20 - 6:55 PM | Prof. Mihaela Stuparu Nanyang Technological University, Singapore | Synthesis and Properties of Corannulene Derivatives |
| 6:55 - 7:30 PM | Prof. Dr. Holger Bettinger Universität Tübingen, Germany | Pushing the Limits in Acene Chemistry: Heptacene, Nonacene, and Undecacene |
8:30 AM: Das Thamattoor - Daily Briefing
| Session 8 | Chair: Prof. Petr Klán | |
| Time | Speaker | Topic |
| 8:35 - 9:10 AM | Prof. David Lee Phillips University of Hong Kong, Hong Kong | Time-Resolved Resonance Raman Spectroscopic Studies of Selected Reactive Intermediates and Their Reactions |
| 9:10 - 9:45 AM | Prof. Robert McMahon University of Wisconsin-Madison, USA | Rotational Spectroscopy, Molecular Structure Determination, and Radioastronomy |
| 9:45 - 10:20 AM | Prof. Josef Michl University of Colorado, USA/AS CR, Czech Republic | Singlet Fission: Optimization of Chromophore Packing |
| 10:20 - 10:45 AM | Coffee Break | |
| Session 9 | Chair: Prof. David Lee Phillips | |
| Time | Speaker | Topic |
| 10:45 - 11:20 AM | Prof. Malcolm Forbes Bowling Green State University, USA | Photodynamic Therapy, Toils and Troubles: Problems Solved With Tiny Bubbles |
| 11:20 - 11:55 AM | Prof. Dr. Patrick Nuernberger Ruhr-Universität Bochum, Germany | Solvent interactions determine reaction pathway of diphenylcarbene in solvent mixtures |
| 11:55 AM - 12:30 PM | Prof. Dr. Elsa Sanchez-Garcia Universität Duisburg-Essen, Germany | Multiscale Simulations of Reactive Intermediates in Solution |
| 12:30 - 1:45 PM | Lunch Break | |
| 1:45 - 3:00 PM | Poster Session | |
| 3:15 PM | Excursion to Pompeii |
8:30 AM: Das Thamattoor - Daily Briefing
| Session 10 | Chair: Prof. Igor Alabugin | |
| Time | Speaker | Topic |
| 8:35 - 9:10 AM | Prof. Dr. Peter Chen ETH, Switzerland | Heterobimetallic d8-d10 complexes as intermediates, transition states, and transition state analogs for the transmetalation step in Sonogashira and Negishi coupling reactions |
| 9:10 - 9:45 AM | Prof. Michael Doyle University of Texas at San Antonio, U.S.A. | Exceptional Reactions and Reactivities of Diazo Compounds Accessed Via Gold Catalysis |
| 9:45 - 10:20 AM | Prof. Vinh Nguyen University of New South Wales, Australia | The Curious Case of Tropylium Ion |
| 10:20 - 10:45 AM | Coffee Break | |
| Session 11 | Chair: Prof. Jeehiun Lee | |
| Time | Speaker | Topic |
| 10:45 - 11:20 AM | Prof. Marc Greenberg Johns Hopkins University, USA | Examining DNA Oxidation via Independent Generation of Nucleobase Reactive Intermediates |
| 11:20 - 11:55 AM | Prof. Hiroshi Fujii Nara Women’s University, Japan | Participation of Electron-Transfer process in Aromatic Hydroxylation Reactions by Heme Enzymes |
| 11:55 AM - 12:30 PM | Prof. John Toscano Johns Hopkins University, USA | Chemistry and Biology of Hydrogen Sulfide (H2S) and Related Hydropersulfides (RSSH) |
| 12:30 - 1:45 PM | Lunch Break | |
| Session 12 | Chair: Prof. Dr. Elsa Sanchez-Garcia | |
| Time | Speaker | Topic |
| 1:45 - 2:20 PM | Prof. Igor Alabugin Florida State University, USA | Supramolecular Control of Radical Additions and Fragmentations for Making New Polyaromatics |
| 2:20 - 2:55 PM | Prof. Vladimir Popik University of Georgia, USA | Cyclopropenone Photochemistry: from Mechanistic Studies to Biomedical Applications |
| 2:55 - 3:20 PM | Prof. Stanislav Presolski Yale-NUS College, Singapore | Ligand-accelerated CuAAC Mechanism – Elusive Intermediates and Practical Implications for Click Chemistry Practitioners |
| 3:20 - 3:45 PM | Coffee Break | |
| Session 13 | Chair: Prof. Anna Gudmundsdottir | |
| Time | Speaker | Topic |
| 3:45 - 4:20 PM | Prof. Petr Klán Masaryk University, Czech Republic/Charles University in Prague, Czech Republic. | Transition-Metal-Free Releasing Compounds Activatable by Visible to NIR Light |
| 4:20 - 4:55 PM | Prof. Dan Falvey University of Maryland, USA | One- and Two-Photon Triggered Release of Stable Molecules Through Electron Transfer Mechanisms |
| 4:55 - 5:30 PM | Prof. Dr. Rainer Herges University of Kiel, Germany | Diazocins as Motors in Molecular Machines |
| 5:30 - 6:00 PM | Prof. Dr. Michal Jurícek University of Zurich, Switzerland | When Spins do the Twist: Unusual Reactivity of Helical Biradicaloids |
| 6:30 PM | ISRIUM 2017 Dinner | |
8:30 AM: Das Thamattoor - Daily Briefing
| Session 14 | Chair: Prof. Manabu Abe | |
| Time | Speaker | Topic |
| 8:35 - 9:10 AM | Prof. Anna Gudmundsdottir University of Cincinnati, USA | Controlling the Reactivity of Vinylazides for Synthetical Application |
| 9:10 - 9:45 AM | Dr. Igor Reva University of Coimbra, Portugal | Tunneling in Triplet 2-Formyl Phenylnitrene |
| 9:45 - 10:20 AM | Prof. Bagrat Shainyan A. E. Favorsky Irkutsk Institute of Chemistry, Russian Academy of Science, Russian Federation | Generation, Transformations and Reactions of Sulfonyl Nitrenes |
| 10:20 - 10:45 AM | Coffee Break | |
| Session 15 | Chair: Prof. Robert McMahon | |
| Time | Speaker | Topic |
| 10:45 - 11:20 AM | Prof. Jishan Wu National University of Singapore, Singapore | From Open-shell Singlet Diradicaloids to Polyradicaloids |
| 11:20 - 11:55 AM | Prof. Leo Radom University of Sydney, Australia | Electrostatic Influences on Bond Dissociation Energies and Ionization Energies |
| 11:55 AM - 12:30 PM | Prof. Shmuel Zilberg Ariel University, Israel | Stable superhalogen radicals with electronically quasi-degenerate ground state |
| 12:30 - 12:35 PM | Das Thamattoor | Concluding Remarks |
| 12:35 - 1:45 PM | Final ISRIUM 2017 Lunch | |
Posters will be on display for the duration of the symposium. There will be a dedicated poster session, however, from 1:45 to 3:00 pm on Tuesday, June 20, 2017
| Poster # | Presenter | Topic |
| 01 | Dr. Itzhak Bilkis, Hebrew University of Jerusalem, Israel | Radicals Formed from Tea Polyphenols and Reactive Oxygen Species at the 50-ns Time Scale. |
| 02 | Dr. Goetz Bucher, University of Glasgow, Scotland | New Aspects in the Chemistry of Highly (and Less) Reactive Quinones and Phenoxy Radicals |
| 03 | Profs. Claire Castro and William Karney, University of San Francisco, USA | Contribution of Heavy-Atom Tunneling to Möbius π-Bond Shifting in Annulenes |
| 04 | Prof. Dr. Chen, ETH, Switzerland | Nickel-Catalyzed Cyclopropanation of Alkenes with NMe4OTf and n-BuLi |
| 05 | Prof. Dr. Chen, ETH, Switzerland | Mechanism-based design and optimization of a catalytic electrophilic cyclopropanation without diazomethane |
| 06 | Prof. Dr. Chen, ETH, Switzerland | Dispersion effects on bond dissociation energies in the gas phase and in solution |
| 07 | Prof. Dr. Chen, ETH, Switzerland | The C-N+ Bond in Amine and Ammonium Compounds is a Charge Shift Bond |
| 08 | Dr. Paolo Costa, Ruhr-Universität Bochum, Germany | Reactivity of Carbenes towards Boron Trifluoride |
| 09 | Prof. Dr. Detert, Johannes Gutenberg-Universität Mainz, Germany | Rearrangements of Perchloroalkenes: Isomerization of Perchlorohexatrienes to Perchlorovinylbutadiene |
| 10 | Ms. Rui Fan, Colby College, USA | Photochemical Generation of 3-Oxacyclohexyne |
| 11 | Dr. Anzhela Galstyan, Westfälische Wilhelms-Universität, Germany | Reactive oxygen species as antibacterial agents |
| 12 | Ms. Dzeneta Halilovic, Nanyang Technological University, Singapore | Development of a Photochemical Strategy for the Aromatic Extension of the Corannulene Scaffold |
| 13 | Ms. Tarini Hardikar Colby College, USA | Diphenylketene from a Phenanthrene-based Cyclobutanone |
| 14 | Ms. Linda Klute Ruhr-Universität Bochum, Germany | The p-methoxyphenyl trifluoromethyl carbene with water |
| 15 | Dr. Robert Kretschmer, University of Regensburg, Germany | Cooperative Effects within Polynuclear Main-Group Element Compounds and Transition-Metal Complexes |
| 16 | Ms. Thu Le, Colby College, USA | Bpin carbene: A computational study and experimental approach |
| 17 | Dr. Artur Mardyukov, Justus-Liebig University, Germany | Generation and Characterization of Parent Phenylphosphinidene and its Oxidation to Phenyldioxophosphorane, the Elusive Phosphorous Analogue of Nitrobenzene |
| 18 | Mr. Dong Meng, Chinese Academy of Science, China | High-Performance Non-Fullerene Rylene Acceptor |
| 19 | Dr. Guglielmo Monaco, University of Salerno, Italy | Current Density Patterns and Ground State Nature of altan-[n]annulenes |
| 20 | Dr. Cláudio Nunes, University of Coimbra Portugal | Photochemistry of triplet 2-formyl-phenylnitrene in low-temperature matrix: Heavy atom tunneling of benzazirine into cyclic ketenimine |
| 21 | Mr. Adam Plenert, Ruhr-Universität Bochum, Germany | Contribution of Water to Matrix Polarity |
| 22 | Ms. Corina Pollok, Ruhr-Universität Bochum, Germany | Photoisomerization of a Chiral Imine Molecular Switch Followed by Matrix-Isolation VCD Spectroscopy |
| 23 | Ms. Soumya Radhakrishnan, Ruhr-Universität Bochum, Germany | Photochemical Reversible Interconversion Between the Benzhydryl Radical and Cation |
| 24 | Mr. Akshay Raut, Ruhr-Universität Bochum, Germany | Halogen Bonding Interaction of Singlet Carbenes |
| 25 | Dr. Marcos Rezende, Universidad de Santiago, Chile | Probing different supramolecular interactions in solution with perichromic dyes |
| 26 | Dr. Sujan Sarkar, Ruhr-Universität Bochum, Germany | Conformer Specific [1,4]H Atom Tunneling in Carbene |
| 27 | Dr. Petr Sazonov, Moscow State University, Russia | Migrational ability of element-centered groups in carbenoid rearrangements: a DFT screening |
| 28 | Mr. Tim Schleif, Ruhr-Universität Bochum, Germany | Cope rearrangement of 1, 5-dimethylsemibullvallee-2(4)-d1: Experimental evidence for contribution of heavy-atom tunneling |
| 29 | Prof. Marcin Stępień, Uniwersytet Wrocławski, Poland | Two-dimensionally Fused Aromatics from Pyrrolic Building Blocks. Synthesis, Reactivity, and Redox Properties |
| 30 | Ms. Iris Trosien, Ruhr-Universität Bochum, Germany | Interaction of Tetrachlorocyclopentadienylidene with CF3I |
| 31 | Mr. Yetsedaw Tsegaw, Ruhr-Universität Bochum, Germany | p-Tolyl(trifluoromethyl) carbene – a Magnetically Bistable Carbene |
| 32 | Ms. Yuewei Wen, Colby College, USA | Propadienylidene: Photochemical Generation and Trapping in Solution |