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 1Chair: Prof. Curt Wentrup
3:00 - 4:00 PM

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 PMProf. Yan Li
Chinese Academy of Sciences, China
Multi-dimensional Rylene Dyes for Organic Electronics
4:35 - 5:10 PMProf. Dr. Peter Schreiner
Justus-Liebig University, Germany
London Dispersion Effects in Molecular Chemistry – Reconsidering Steric Effects
5:10 - 5:35 PMCoffee Break
Session 2Chair: Prof. Dan Singleton
5:35 - 6:10 PMProf. Steven Kass
University of Minnesota, USA
Charge Assisted Catalysis
6:10 - 6:45 PMProf. Jeehiun Lee
Rutgers, The State University of New Jersey, USA/ Columbia University, USA
Gas Phase Studies of Catalysis
6:45 - 7:20 PMEm. Prof. Koop Lammertsma
Vrije Universiteit Amsterdam,
The Netherlands
Chemistry of White Phosphorus and 1,3-P,N-ligands
7:20 - 7:55 PMProf. Curt Wentrup
The University of Queensland, Australia
Ketene – Ketene Interconversions
8:00 PMWelcome Reception

8:30 AM: Das Thamattoor - Daily Briefing

Session 3Chair: Em. Prof. Leo Radom
8:35 - 9:10 AMProf. Dean Tantillo
University of California—Davis, USA
Post-Transition State Bifurcations are Gaining Momentum
9:10 - 9:45 AMProf. Dan Singleton
Texas A&M University, USA
Dynamic Effects and Energy Labeling in Free-Radical Reactions
9:45 - 10:20 AMProf. 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 AMCoffee Break
Session 4Chair: Prof. Kim Baldridge
10:45 - 11:20 AMProf. Manabu Abe
Hiroshima University, Japan
Localized Diradicals in Macrocyclic Ring Systems
11:20 - 11:55 AMDr. Laura Zoppi
Tianjin University, China
From Charge Transfer Excitations to Charge Transport mediated by Super Atomic Molecular Orbitals
11:55 AM - 12:30 PMProf. Takashi Kubo
Osaka University, Japan
Spin Structure of Multi-Phenalenyl Radicals
12:30 - 1:45 PMLunch Break

Session 5Chair: Em. Prof. Thomas Bally
1:45 - 2:20 PMProf. Dr. Wolfram Sander
Ruhr-Universität Bochum, Germany
Magnetically Bistable Carbenes – Controlling Spin States by Temperature and Light
2:20 - 2:55 PMProf. 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 PMProf. Dina Merrer
Barnard College, USA
Good Behavior is Overrated: Carbene Additions to Strained Bonds
3:20 - 3:45 PMCoffee Break
Session 6Chair: Prof. Dr. Wolfram Sander
3:45 - 4:20 PMEm. Prof. Dr. Herbert Mayer
Ludwig-Maximilians-Universität München, Germany
When are Carbocations Reactive Intermediates?
4:20 - 4:45 PMProf. Paul Rablen
Swarthmore College, USA
How Does Alkylation at Different Positions Affect Allylic and Pentadienyl Carbocations?
4:45 - 5:20 PMDr. David Martin
CNRS/Université Grenoble-Alpes, France
The quest for stable oxyallyl derivatives
5:20 - 5:45 PMCoffee Break
Session 7Chair: Prof. Jay Siegel
5:45 - 6:20 PMProf. Marcin Stepien
Uniwersytet Wrocławski
Bending Aromatic Molecules with Transition Metal-Mediated Reactions.
The Fold-in Method and Beyond
6:20 - 6:55 PMProf. Mihaela Stuparu
Nanyang Technological University, Singapore
Synthesis and Properties of Corannulene Derivatives
6:55 - 7:30 PMProf. Dr. Holger Bettinger
Universität Tübingen, Germany
Pushing the Limits in Acene Chemistry: Heptacene, Nonacene, and Undecacene

8:30 AM: Das Thamattoor - Daily Briefing

Session 8Chair: Prof. Petr Klán
8:35 - 9:10 AMProf. 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 AMProf. Robert McMahon
University of Wisconsin-Madison, USA
Rotational Spectroscopy, Molecular Structure Determination, and Radioastronomy
9:45 - 10:20 AMProf. Josef Michl
University of Colorado, USA/AS CR, Czech Republic
Singlet Fission: Optimization of Chromophore Packing
10:20 - 10:45 AMCoffee Break
Session 9Chair: Prof. David Lee Phillips
10:45 - 11:20 AMProf. Malcolm Forbes
Bowling Green State University, USA
Photodynamic Therapy, Toils and Troubles: Problems Solved With Tiny Bubbles
11:20 - 11:55 AMProf. Dr. Patrick Nuernberger
Ruhr-Universität Bochum, Germany
Solvent interactions determine reaction pathway of diphenylcarbene in solvent mixtures
11:55 AM - 12:30 PMProf. Dr. Elsa Sanchez-Garcia
Universität Duisburg-Essen, Germany
Multiscale Simulations of Reactive Intermediates in Solution
12:30 - 1:45 PMLunch Break
1:45 - 3:00 PMPoster Session
3:15 PMExcursion to Pompeii

8:30 AM: Das Thamattoor - Daily Briefing

Session 10Chair: Prof. Igor Alabugin
8:35 - 9:10 AMProf. 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 AMProf. 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 AMProf. Vinh Nguyen
University of New South Wales, Australia
The Curious Case of Tropylium Ion
10:20 - 10:45 AMCoffee Break
Session 11Chair: Prof. Jeehiun Lee
10:45 - 11:20 AMProf. Marc Greenberg
Johns Hopkins University, USA
Examining DNA Oxidation via Independent Generation of Nucleobase Reactive Intermediates
11:20 - 11:55 AMProf. Hiroshi Fujii
Nara Women’s University, Japan
Participation of Electron-Transfer process in Aromatic Hydroxylation Reactions by Heme Enzymes
11:55 AM - 12:30 PMProf. John Toscano
Johns Hopkins University, USA
Chemistry and Biology of Hydrogen Sulfide (H2S) and Related Hydropersulfides (RSSH)
12:30 - 1:45 PMLunch Break

Session 12Chair: Prof. Dr. Elsa Sanchez-Garcia
1:45 - 2:20 PMProf. Igor Alabugin
Florida State University, USA
Supramolecular Control of Radical Additions and Fragmentations
for Making New Polyaromatics
2:20 - 2:55 PMProf. Vladimir Popik
University of Georgia, USA
Cyclopropenone Photochemistry: from Mechanistic Studies to Biomedical Applications
2:55 - 3:20 PMProf. Stanislav Presolski
Yale-NUS College, Singapore
Ligand-accelerated CuAAC Mechanism – Elusive Intermediates and Practical Implications for Click Chemistry Practitioners
3:20 - 3:45 PMCoffee Break
Session 13Chair: Prof. Anna Gudmundsdottir
3:45 - 4:20 PMProf. 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 PMProf. Dan Falvey
University of Maryland, USA
One- and Two-Photon Triggered Release of Stable Molecules Through Electron Transfer Mechanisms
4:55 - 5:30 PMProf. Dr. Rainer Herges
University of Kiel, Germany
Diazocins as Motors in Molecular Machines
5:30 - 6:00 PMProf. Dr. Michal Jurícek
University of Zurich, Switzerland
When Spins do the Twist: Unusual Reactivity of Helical Biradicaloids
6:30 PMISRIUM 2017 Dinner

8:30 AM: Das Thamattoor - Daily Briefing

Session 14Chair: Prof. Manabu Abe
8:35 - 9:10 AMProf. Anna Gudmundsdottir
University of Cincinnati, USA
Controlling the Reactivity of Vinylazides for Synthetical Application
9:10 - 9:45 AMDr. Igor Reva
University of Coimbra, Portugal
Tunneling in Triplet 2-Formyl Phenylnitrene
9:45 - 10:20 AMProf. 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 AMCoffee Break
Session 15Chair: Prof. Robert McMahon
10:45 - 11:20 AMProf. Jishan Wu
National University of Singapore, Singapore
From Open-shell Singlet Diradicaloids to Polyradicaloids
11:20 - 11:55 AMProf. Leo Radom
University of Sydney, Australia
Electrostatic Influences on Bond Dissociation Energies and Ionization Energies
11:55 AM - 12:30 PMProf. Shmuel Zilberg
Ariel University, Israel
Stable superhalogen radicals with electronically quasi-degenerate ground state
12:30 - 12:35 PMDas ThamattoorConcluding Remarks
12:35 - 1:45 PMFinal 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 # PresenterTopic
01Dr. Itzhak Bilkis,
Hebrew University of Jerusalem, Israel
Radicals Formed from Tea Polyphenols and Reactive Oxygen Species at the 50-ns Time Scale.
02Dr. Goetz Bucher,
University of Glasgow, Scotland
New Aspects in the Chemistry of Highly (and Less) Reactive Quinones and Phenoxy Radicals
03Profs. Claire Castro and William Karney,
University of San Francisco, USA
Contribution of Heavy-Atom Tunneling to Möbius π-Bond Shifting in Annulenes
04Prof. Dr. Chen,
ETH, Switzerland
Nickel-Catalyzed Cyclopropanation of Alkenes with NMe4OTf and n-BuLi
05Prof. Dr. Chen,
ETH, Switzerland
Mechanism-based design and optimization of a catalytic electrophilic cyclopropanation without diazomethane
06Prof. Dr. Chen,
ETH, Switzerland
Dispersion effects on bond dissociation energies in the gas phase and in solution
07Prof. Dr. Chen,
ETH, Switzerland
The C-N+ Bond in Amine and Ammonium Compounds is a Charge Shift Bond
08Dr. Paolo Costa,
Ruhr-Universität Bochum, Germany
Reactivity of Carbenes towards Boron Trifluoride
09Prof. Dr. Detert,
Johannes Gutenberg-Universität Mainz, Germany
Rearrangements of Perchloroalkenes: Isomerization of Perchlorohexatrienes to
10Ms. Rui Fan,
Colby College, USA
Photochemical Generation of 3-Oxacyclohexyne
11Dr. Anzhela Galstyan,
Westfälische Wilhelms-Universität, Germany
Reactive oxygen species as antibacterial agents
12Ms. Dzeneta Halilovic,
Nanyang Technological University, Singapore
Development of a Photochemical Strategy for the Aromatic Extension of the Corannulene Scaffold
13Ms. Tarini Hardikar
Colby College, USA
Diphenylketene from a Phenanthrene-based Cyclobutanone
14Ms. Linda Klute
Ruhr-Universität Bochum, Germany
The p-methoxyphenyl trifluoromethyl carbene with water
15Dr. Robert Kretschmer,
University of Regensburg, Germany
Cooperative Effects within Polynuclear Main-Group Element Compounds
and Transition-Metal Complexes
16Ms. Thu Le,
Colby College, USA
Bpin carbene: A computational study and experimental approach
17Dr. Artur Mardyukov,
Justus-Liebig University, Germany
Generation and Characterization of Parent Phenylphosphinidene and its Oxidation to
Phenyldioxophosphorane, the Elusive Phosphorous Analogue of Nitrobenzene
18Mr. Dong Meng,
Chinese Academy of Science, China
High-Performance Non-Fullerene Rylene Acceptor
19Dr. Guglielmo Monaco,
University of Salerno, Italy
Current Density Patterns and Ground State Nature of altan-[n]annulenes
20Dr. Cláudio Nunes,
University of Coimbra
Photochemistry of triplet 2-formyl-phenylnitrene in low-temperature matrix:
Heavy atom tunneling of benzazirine into cyclic ketenimine
21Mr. Adam Plenert,
Ruhr-Universität Bochum, Germany
Contribution of Water to Matrix Polarity
22Ms. Corina Pollok,
Ruhr-Universität Bochum, Germany
Photoisomerization of a Chiral Imine Molecular Switch Followed by Matrix-Isolation VCD Spectroscopy
23Ms. Soumya Radhakrishnan,
Ruhr-Universität Bochum, Germany
Photochemical Reversible Interconversion Between the Benzhydryl Radical and
24Mr. Akshay Raut,
Ruhr-Universität Bochum, Germany
Halogen Bonding Interaction of Singlet Carbenes
25Dr. Marcos Rezende,
Universidad de Santiago, Chile
Probing different supramolecular interactions in solution with perichromic dyes
26Dr. Sujan Sarkar,
Ruhr-Universität Bochum, Germany
Conformer Specific [1,4]H Atom Tunneling in Carbene
27Dr. Petr Sazonov,
Moscow State University, Russia
Migrational ability of element-centered groups in carbenoid rearrangements: a DFT
28Mr. Tim Schleif,
Ruhr-Universität Bochum, Germany
Cope rearrangement of 1,
5-dimethylsemibullvallee-2(4)-d1: Experimental evidence for contribution of heavy-atom tunneling
29Prof. Marcin Stępień,
Uniwersytet Wrocławski, Poland
Two-dimensionally Fused Aromatics from Pyrrolic Building Blocks.
Synthesis, Reactivity, and Redox Properties
30Ms. Iris Trosien,
Ruhr-Universität Bochum, Germany
Interaction of Tetrachlorocyclopentadienylidene with CF3I
31Mr. Yetsedaw Tsegaw, Ruhr-Universität Bochum, Germanyp-Tolyl(trifluoromethyl)
carbene – a Magnetically Bistable Carbene
32Ms. Yuewei Wen,
Colby College, USA
Propadienylidene: Photochemical Generation and Trapping in Solution

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