ESOR 2019 PROGRAMME

IMPORTANT
The registration will take place at the University of Dubrovnik, Ul. branitelja Dubrovnika 29
It is located nearby (5 min walk) from Inter-University Center, or 8 min west of the "Pile gate"

SUNDAY, 8 SEPTEMBER
14:00-20:00	REGISTRATION (University of Dubrovnik, Ul. branitelja Dubrovnika 29)
17:30	Introduction, Hrvoj Vančík
Chair: Hans-Ullrich Siehl
18:00	PL-1	Opening Lecture, Josef Michl (University of Colorado, USA) Porphene – a Regular Heterocyclic Two-dimensional Polymer
19:00	Welcome Party, IUC

MONDAY, 9 SEPTEMBER
Chair: Rainer Herges
9:00 – 9:50	PL-2	Henry Dube (Ludwig-Maximilians-Universität München, DE) From Indigoid Photoswitches To Molecular Machines
9:50 – 10:20	IN-1	Jirí Kaleta (Institute of Organic Chemistry and Biochemistry of the CAS, CZ) Regular 2-D Assemblies of Molecular Machines
10:20 – 10:40	OP-1	Michael Schmittel (University of Siegen, DE) Multicomponent Catalytic Machinery: How the Machine Speed Impacts Catalytic Activity
10:40 – 11:10	Coffee Break
Chair: Nikola Basarić
11:10 – 11:30	OP-2	Henrik Ottosson (Uppsala University, SE) Exploring Photoreactions Potentially Triggered by Excited State Antiaromaticity Relief
11:30 – 11:50	OP-3	Moisés Canle (Universidade da A Coruña, ES) Short-lived Intermediates Derived from Sym-triazines: Structure, Thermodynamic Properties and Reactivity
11:50 – 12:10	OP-4	Shigeru Yamago (Kyoto University, JP) Synthesis and Properties of Novel Cyclic π-conjugated Molecules
12:30 – 14:00	Lunch Break
Chair: Jason Harper
14:00 – 14:50	PL-3	Eric Vauthey (University of Geneva, CH) Photoinduced Symmetry-breaking Charge-transfer
14:50 – 15:20	IN-2	J. Chris Slootweg (University of Amsterdam, NL) Circular Chemistry, Steric Attraction and Photoinduced Single-electron Transfer: New Adventures in Main-group Chemistry
15:20 – 15:40	OP-5	Eva Blokker (Vrije Universiteit Amsterdam, NL) Hydride Affinities of Cationic Main Group-element Hydrides
15:40 – 16:10	Coffee Break
Chair: Tatiana Nekipelova
16:10 – 16:30	OP-6	Trevor Hamlin (Vrije Universiteit Amsterdam, NL) 1,3-dipolar Cyloaddition Reactivity of Alkynes
16:30 – 16:50	OP-7	Uta Wille (The University of Melbourne, AU) Decoding the Mechanism of Environmental Polymer Degradation: a Mass Spectrometric Approach
16:50 – 17:10	OP-8	Hendrik Zipse (Ludwig-Maximilians-Universität München, DE) Molecule-induced Radical Formation With Peroxides
17:10 – 17:30	OP-9	Götz Bucher (University of Glasgow, UK) Bay Quinones – Electronic Properties and Stability

TUESDAY, 10 SEPTEMBER
Chair: Johan Åqvist
9:00 – 9:50	PL-4	Massimo Bietti (Università "Tor Vergata", IT) Reactivity and Selectivity Patterns in Hydrogen Atom Transfer from Aliphatic C-H Bonds
9:50 – 10:40	PL-5	Stefan Grimme (University Bonn, DE) New Tight-binding Quantum Chemistry Methods for the Exploration of Chemical Space
10:40 – 11:10	Coffee Break
Chair: Rainer Herges
11:10 – 12:00	PL-6	Leonard J. Prins (University of Padova, IT) Energy Consumption in Chemical-fuel Driven Self-assembly
12:00 – 12:30	IN-3	F. Matthias Bickelhaupt (Vrije Universiteit Amsterdam, NL) Chemical Reactivity
13:30	CONFERENCE TRIP

WEDNESDAY, 11 SEPTEMBER
Chair: Yitzhak Apeloig
9:30 – 10:20	PL-7	Sason S. Shaik (Hebrew University, IL) Oriented External Electric Fields as Effectors in Chemistry
10:20 – 10:50	IN-4	Amnon Stanger (Technion – Israel Institute of Technology, IL) Surprises in NICS Studies and a New NICS-based Criterion for Aromaticity
10:50 – 11:10	OP-10	Hans-Ullrich Siehl (Ulm University, DE) 1,3-H-shift – a New Route to Static Bicyclobutonium Ions Further Answers to the Conundrum of the Structure of C4H7+ Cations
11:10 – 11:40	Coffee Break
Chair: F. Matthias Bickelhaupt
11:40 – 12:00	OP-11	Sujan K. Sarkar (Hiroshima University, JP) Heavy Atom Tunneling, Matrix Effect, and Wavelength Effect in the Photoreaction of 2,3-diazabicyclo[2.2.1]hept-2-ene
12:00 – 12:20	OP-12	Neil Griffin (Syngenta, UK) Applying Physical Organic Processes To Formulation Chemical Stability
12:30 – 14:00	Lunch Break
Chair: Hrvoj Vančik
14:00 – 14:30	IN-5	Yitzhak Apeloig (Technion – Israel Institute of Technology, IL) Isomerization Mechanisms Around E=E’ (E,E’=C,Si,Ge) Bonds- Double Bonds, Anions, Radicals. Experiment and Theory
14:30 – 15:00	IN-6	Nikola Basarić (Ruđer Bošković Institute, HR) Photochemical Elimination of Nitrogen from Diazirines and Diazo Compounds
15:00 – 15:15	In Memory of Prof. Brian G. Gowenlock (H. Vančik)
15:15 – 15:30	Coffee Break
16:00 – 18:30	POSTER SESSION
20:00	CONFERENCE DINNER - Sunset Beach Dubrovnik

THURSDAY, 12 SEPTEMBER
Chair: J. Chris Slootweg
9:00 – 9:50	PL-8	Johan Åquist (Uppsala University, SE) Entropy and Enzyme Adaptation
9:50 – 10:20	IN-7	Ruth M. Gschwind (University of Regensburg, DE) NMR in Catalysis and Photocatalysis Pushing the Frontiers
10:20 – 10:40	OP-13	David R. W. Hodgson (Durham University, UK) Chemo-enzymatic Preparation of Nucleoside Triphosphates from Diphosphates Using Feedstock Chemicals
10:40 – 11:10	Coffee Break
Chair: Moisés Canle López
11:10 – 11:30	OP-14	Marina Šekutor (Ruđer Bošković Institute, HR) Application of Adamantyl Aminoguanidines in Functional Self-assembled Nanovesicles
11:30 – 11:50	OP-15	Veronika V. Semionova (Voevodsky Institute of Chemical Kinetics and Combustion, RAS, RU) Supramolecular Compounds Formed by Organic Photochromes and Metal-organic Coordination Polymer
11:50 – 12:10	OP-16	Benita Barton (Nelson Mandela University, ZA) Host Behaviour of N,N’-bis(9-phenyl-9-thioxanthenyl)ethylenediamine in the Presence of Aromatic and Aliphatic Five-membered Heterocyclic Guest Compounds
12:30 – 14:00	Lunch Break
Chair: Uta Wille
14:00 – 14:50	PL-9	Lyle Isaacs (University of Maryland, US) Cucurbit[n]uril Molecular Containers: from Basic Science to Biomedical Applications
14:50 – 15:20	IN-8	Davor Margetić (Ruđer Bošković Institute, HR) Guanidine-carboxylate Bonding Motif in Self-assembly of Aromatic Donor-acceptor Systems
15:20 – 15:50	Coffee Break
Chair: Bagrat Shainyan
15:50 – 16:10	OP-17	Maria L. S. Cristiano (University of Algarve, PT) Substituent Effects On the Photochemistry of 5-aminotetrazoles
16:10 – 16:30	OP-18	Armin R. Ofial (Ludwig-Maximilians-Universität München, DE) Reactivities of Electrophilic Alkynes and Allenes
16:30 – 16:50	OP-19	Bagrat A. Shainyan (A. E. Favorsky Irkutsk Institute of Chemistry, RU) Silacyclohexanes: Conformational Preferences in Gas and Solution
16:50 – 17:10	OP-20	Robert J. Mayer (Ludwig-Maximilians-Universität München, DE) Ambident Reactivity of Phenolate Anions Revisited: a Quantitative Approach To Phenolate Reactivities

FRIDAY, 13 SEPTEMBER
Chair: Maria Lurdes S. Cristiano
9:00 – 9:50	PL-10	Harry L. Anderson (University of Oxford, UK) Global Aromaticity at the Nanoscale
9:50 – 10:20	IN-9	Marcin Stępień (Uniwersytet Wrocławski, PL) Open-shell Nanographenoids
10:20 – 10:40	OP-21	Ian Williams (University of Bath, UK) Computational Simulation of Energy Landscapes and Isotope Effects for Glycosidic Reactivity
10:40 – 11:00	OP-22	Kazuhide Nakata (Hosei University, JP) Computational Study of Substituent Effects on Gas-phase Stabilities of 1-phenylcyclobutane-1,3-diyliums
Chair: Davor Margetić
11:00 – 11:20	OP-23	Tatiana Nekipelova (Emanuel Institute of Biochemical Physics, RAS, RU) Structure–reactivity Correlation in the Reaction of Mixed Phosphonium-iodonium Ylides With Acetylenes
11:20 – 11:40	OP-24	Rebecca Hawker (University of Sheffield, UK) Predicting the Effects of Solvent Mixtures on the Kemp Reactions
11:40 – 12:00	OP-25	Cedric W. McCleland (Nelson Mandela University, ZA) A DFT Comparative Study of Substituent Effects in Radicals, Cations and Radical Cations
12:00 – 12:20	OP-26	Eduardo Humeres (Universidade Federal de Santa Catarina, BR) Mechanism of Reduction of Air Pollutants on Carbons: Sulfur Dioxide and Ozone
12:20	Closing Ceremony

  The list of accepted posters

  PROGRAMME BOOK

  BOOK OF ABSTRACTS

SECOND ANNOUNCEMENT

ORGANISERS

University of Zagreb

University of Zagreb,
Faculty of Science,
Department of Chemistry

Croatian Chemical Society

Inter-University Centre Dubrovnik