18th Conference on Physical Organic Chemistry

 on-line journal

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August 22nd, Tuesday

19:30 Poster Session I - Philip Coppens
19:30 #I-1 poster Margarita Aliaga Kinetic Study of the Benzenethiolysis of S-Methyl Aryl Thiocarbonates
19:30 #I-2 poster Ramiro Araya-Maturana Regio- and Diastereoselective Diels-Alder Reaction of Chiral Tolylsulfinildienols
19:30 #I-3 poster Afir Arezki Radio Crystallographic Study of Titanium Sesquioxyde at High Temperature and in Vacuum
19:30 #I-4 poster Ana Bergant The Interactions of Hydrotrioxides (ROOOH) with Pyridine N-Oxides
19:30 #I-5 poster Stefan Berger Nucleophilicities of Triflinate-Stabilized Carbanions
19:30 #I-6 poster Marek K. Bernard Mass Fragmentation Pattern of Some Pyrazolo[1,5-a]pyrimidine Derivatives
19:30 #I-7 poster Riccardo Bini QSPR for Ionic Liquids by Recursive Neural Networks
19:30 #I-8 poster Michał P. Błaszczyk Weak Interactions in N-triazinylammonium Tetrafluoroborate Salts as a Reason for Interesting Supramolecular Architecture
19:30 #I-9 poster Frank Brotzel Nucleophilicities of Amines and Amino Acids
19:30 #I-10 poster Marta Bugaj Spin-Spin nJ(CC) Coupling Computations for Optimized Geometries of Rotamers of Enaminoketone System: a DFT Approach.
19:30 #I-11 poster Wojciech Bury Significance of Intermolecular S...C(π) Interaction Involving M-S and -C=O Centers in Crystal Structures of Metal Thiolate Complexes
19:30 #I-12 poster Lilianna Chęcińska Reproducibility and Transferability of Topological Data: Experimental Charge Density Study of Two Modifications of L-alanyl-L-tyrosyl-L-alanine
19:30 #I-13 poster Devarajegowda H. Chikegowda Synthesis and Crystal Structure of N-alkyl derivatives of 7-chloro-5-chloropropyl-9-methyl-5,10-dihydro- 4,5,6,10-tetraaza-dibenzo[a,d]cyclohepten-11-one
19:30 #I-14 poster Anna Chrostowska VGSR Synthesis and UV-PES Characterization of Kinetically Unstabilized Arsaalkenes
19:30 #I-15 poster Julio R. De la Fuente Charge Transfer Complexes Formation Between Benzoanthracenones and Amines
19:30 #I-16 poster Julio R. De la Fuente Spectroscopic Characterization of Radicals Species from 2,3-dihydro-oxoisoaporphines Generated by Flash Photolysis and Pulse Radiolysis
19:30 #I-17 poster Michał A. Dobrowolski Structural Analysis of Psoralens and Their Analogues
19:30 #I-18 poster Małgorzata Domagała Do the N-H...F and S-H...F Interactions Fnfluence on C-H...N and C-H...S Hydrogen Bonds?
19:30 #I-19 poster Sławomir Domagała Charge Density Studies of Tetraazamacrocyclic Complexes of Copper(II) and Nickel(II)
19:30 #I-20 poster Paulina M. Dominiak Macromolecular Interaction Energies from a Theoretical Databank of Transferable Aspherical Pseudoatoms
19:30 #I-21 poster Teresa M. Duarte Synthesis and Excited State Properties of a [60]Fullerene Derivative Bearing a Star-Shaped Multi-Photon Absorption Chromophore
19:30 #I-22 poster Joanna Dziemidowicz Synthesis of Calix[4]arene-Based Tetraphosphonic Acid and its Complexing Properties Towards Aminoacids Derivatives in Water
19:30 #I-23 poster Krzysztof Ejsmont Properties of the Diazo Group (-N=N-) Modified by Oxidation
19:30 #I-24 poster Walter M. Fabian Centipedolide A: Isolation, Structure and Absolute Configuration
19:30 #I-25 poster Walter M. Fabian Cyclization of α-Diazonitriles to 5-Halo-1,2,3-triazoles. A Combined Experimental and Computational Study
19:30 #I-26 poster Matthias Filthaus Bromine-Lithium Exchange in 1,2-Dibromobenzene and the Intermediacy of 1,2-Dilithiobenzene
19:30 #I-27 poster Sergio E. Galembeck Evaluation of Proton Affinity, Gas Phase Basicity and Heat of Formation for 2-Pirrolidinone and γ-Butyrolactone by Isodesmic Reactions: Comparison Between Composite and DFT Methods
19:30 #I-28 poster Luis Garcia-Rio Mechanism of the Reation of N-nitrososulfonamides with Alkali-metal Ethoxides
19:30 #I-29 poster Myriam S. Giambiagi Bond Indices in Dihydrogen Bonds
19:30 #I-30 poster Jose Giner Planas Designing Neutral Coordination Networks Using Cyclopentadienyl Cobaltacarborane Supramolecular Synthons: an Exercise in Crystal Engineering
19:30 #I-31 poster Stephen A. Glover The HERON Reaction - Origin, Theoretical Background and Prevalence
19:30 #I-32 poster José R B Gomes The Dissociation Enthalpy of the (N-O) Bond in Methyl-2-methylquinoxaline-3-carboxylate 1-N-oxide
19:30 #I-33 poster Dirk Grote Quartet Ground State Nitrene Radicals
19:30 #I-34 poster Guenter Haefelinger Problems Associated with Settings for ab initio Calculations of Torsional Barriers with Gaussian 03
19:30 #I-35 poster Maja Harej The Influence of Structure on the Autoxidation of Hydrazones
19:30 #I-36 poster Paweł Horeglad The Competition Between P=O···X (X = I, Br) Interaction and P=O···H Hydrogen Bond in Iodine- and Bromine Compounds Containing an O,C,O-coordinating Pincer-Type Ligand
19:30 #I-37 poster Gloria Huerta Preparation and Characterization of Novel Grafted Azo-polymers Containing Disperse Orange-3, Disperse Orange-13, Disperse Yellow-7 and Disperse Red-13.
19:30 #I-38 poster Gloria Huerta Linear and Non-linear Optical Properties of 2,5-disubstituted Pyrroles Supported by a Catalyst-free SiO2 Sonogel Matrix
19:30 #I-39 poster Kimiaki Imafuku Synthesis and Stabilities of 3-Indolyl-substituted Methyl Cations
19:30 #I-40 poster Agnieszka Iwan Thermotropic Azomethine-Based Liquid Crystals for Plastic Electronics
19:30 #I-41 poster Agnieszka Iwan A Novel Blue Light Emitting Materials Based on the Triphenylamine Core
19:30 #I-42 poster Bożena Jarząbek Azobenzene-Functionalized Polymers as Potential Materials for Fabrication of Nanostructures
19:30 #I-43 poster Bożena Jarząbek Optical Studies of Aromatic Polyazomethine Thin Films
19:30 #I-44 poster Jan S. Jaworski Transition Between Concerted and Stepwise Mechanisms of the Reductive Bond Cleavage of 1-Chloro-10-methyltribenzotriquinacene
19:30 #I-45 poster Olga T. Kasaikina Interaction of Hydroperoxides with Natural and Synthetic Antioxidants Catalized by Cationic Surfactants
19:30 #I-46 poster Katarzyna Ostrowska Bis-(cycloamidin-2-yl)alkanes as the Proton Trap
19:30 #I-47 poster Byeong Hyo Kim Heterocyclizations of N-[(2-nitroaryl)methyl ene]arenamines to (2-aryl-2H-indazol-3-yl)ryl amines via Indium/iodine-mediated Reaction
19:30 #I-48 poster Hwan Myung Kim Acedan-Derived Two-Photon Probe for Cytosolic Mg2+ Measurement in a Living Cell
19:30 #I-49 poster Vasyl Kinzhybalo Aqua Magnesium(II) Phthalocyanine Bis(diethylamine) Solvate
19:30 #I-50 poster Aleksander Koll Structural Consequences of the Formation of Intramolecular Hydrogen Bonding

August 23rd, Wednesday

19:30 Poster Session II - Philip Coppens
19:30 #II-1 poster Aleksander Koll Car-Parrinello Molecular Dynamics Study of Mannich type compound (4,5-dimethyl-2(N,N-dimethyl aminomethyl)phenol) in Gas Phase and Solid State
19:30 #II-2 poster Dmitry V. Kondratuk Novel Bisstyryl Dyes Containing 18-crown-6 moieties: Synthesis, Complexation with Ammonium Substrates and [2+2]-photocycloaddition
19:30 #II-3 poster Andrzej Kosiński Nanoparticles of Palladium in Polyacetylene or Polyaniline Matrix and Their Activity in Model Hydrogenation Reaction
19:30 #II-4 poster Izabela Kraszewska Divergent Coordination Mode of Magnesium and Zinc Alkyls Supported by the Multidentate Pyrrolylaldiminato Ligands
19:30 #II-5 poster Anna Kropidłowska Metal Silanethiolates with Aminopyridines as Coligands - the Role of N-H···S Bond
19:30 #II-6 poster Karol Krzymiński Physicochemical Properties of Substituted 9-(Phenoxycarbonyl) Acridinium Cations - an Important Systems Used in Luminescent Assays
19:30 #II-7 poster Jiri Kulhanek Synthesis and Physical-Chemical Properties of New Diazatricyclo Derivate
19:30 #II-8 poster Grzegorz Litwinienko Media Effects on Kinetics of Radical Scavenging by Flavonoids.
19:30 #II-9 poster Miroslav Ludwig Coordination Properties of Imidazole Derivatives
19:30 #II-10 poster Izabela D. Madura π-Electron Delocalization in Cyclopentadienylaluminum Complexes
19:30 #II-11 poster Anna M. Makal Sigma Cutoff - and What Lies Behind
19:30 #II-12 poster Magdalena Małecka Comparative Studies of Oxaphosphinane and Chromone Derivatives. X-ray, DFT, AIM Studies
19:30 #II-13 poster Clarissa T. Martins Thermo-solvatochromism of Merocyanine indicators: Effects of the Hydrophobic Character of the Alkyl Group
19:30 #II-14 poster Noriyuki Mizoguchi Double Aromaticity in Monocyclic Carbon Clusters
19:30 #II-15 poster Thwanthwadi B. Moekwa Synthesis and Chemical Transformation of Fused Tetrazoles Derivatives from of 2-bromomethyl- and 2-iodomethyl-3,5,6,7-tetrahydrobenzofuran-4-ones
19:30 #II-16 poster Robert Musiol Structure-Lipophilicity Relationships in Series of Quinoline Derivatives
19:30 #II-17 poster Miljenko Novosel Charge-Transfer and Oxidized States of Boron-Bridged Ferrocene Monomers and Polymers
19:30 #II-18 poster Tadeusz Ossowski Studies on C-H and N-H Pyrazine Acid-Base Properties.
19:30 #II-19 poster Janusz Oszczapowicz Sensitivity of Carbon Atom Bonded to a Substituent to its Polar Effects in the 13C NMR Spectra
19:30 #II-20 poster Irena Oszczapowicz DNA Damage and Lipid Peroxidation in L1210 Cells by Formamidino Derivatives of Doxorubicin
19:30 #II-21 poster Mercedes Parajó Kinetics and Mechanism of the Nitrosation of Cyclic 1,3-diones by SNO+
19:30 #II-22 poster Marcin Pawlak Anion Recognition by Artificial Polyamide Receptors
19:30 #II-23 poster Mateusz Pitak Interactions in the Crystal Structure of Guanidinium Hydrogen Oxalate Monohydrate Derived from Experimental Charge Density Distribution
19:30 #II-24 poster Ewa D. Raczyńska Gas-Phase Lithium Cation Basicity of Histamine and its Agonist 2-(β-aminoethyl)-pyridine. Chelation Effect
19:30 #II-25 poster Andrzej J. Rafalski Influence of Copolymers on Radiation Resistance of Polypropylene Blends
19:30 #II-26 poster Marcos C. Rezende α-Cyclodextrin Inclusion Complexes with Solvatochromic Pyridiniophenolates
19:30 #II-27 poster Daniel Rodríguez Ramos Quantum Chemical Study of the Hydrolysis of Imines: Structure and Reactivity
19:30 #II-28 poster Paulina K. Rogowska Intermolecular Donor-Acceptor Interactions of B(OH)2 Group in Phenylboronic Acids – Important or Not?
19:30 #II-29 poster Anna Sadowska The Effects of a Guanine Hole on the Structure and Dynamics of DNA Duplexes. Consequences for Theoretical Estimation of Charge Transfer Parameters
19:30 #II-30 poster José G. Santos Kinetics and Mechanism of the Pyridinolysis of Thiolbenzoates and Carbonates
19:30 #II-31 poster José G. Santos Aminolysis of Aryl Chlorodithioformates. A Kinetic Study
19:30 #II-32 poster Michael Schmittel From Supramolecular Porphyrin Tweezers to Dynamic AnBmClDk Multiporphyrin Arrangements Through Orthogonal Coordination
19:30 #II-33 poster Florian Seeliger Electrophilicities of Benzylidenebarbituric Acids
19:30 #II-34 poster Remigiusz Serwa Antioxidant Behavior of 2-Amino-5-pyridinols Derived from Vitamin B6
19:30 #II-35 poster Daniel A. Silva Synthesis and Reactivity of New Benzimidazolylcarbamates
19:30 #II-36 poster Janusz W. Sobczak Pt L2 and L3 Absorption Studies of Pt-doped Polymers
19:30 #II-37 poster Adam Sobczuk Molecular Recognition of Nitro- and Cyanoarenes by Podand Diazacoronands
19:30 #II-38 poster Natasza Sprutta Dithia- and Dioxadiazuliporphyrin: Facile Generation of Carbaporphyrinoid Cation Radical and Dication
19:30 #II-39 poster Zois Syrgiannis Thermodynamic Parameters ∆∆H and ∆∆S as Probes for the Transition State in the Reaction of N-phenyltriazolinedione with Alkenes in Nucleophilic Solvents.
19:30 #II-40 poster Halina Szatylowicz Varying Electronegativity of OH/O- Groups Depending on the Nature and Strength of H-bonding in Phenol/Phenolate involved in H-bond complexation
19:30 #II-41 poster Andrzej R. Teisseyre Patch-Clamp Study on the Influence of Zinc and Copper Ions on the Activity of Voltage-Gated Potassium Channels Kv1.3
19:30 #II-42 poster Joel Torres Alacan Time-Resolved and DFT Study of the Reactions and Mechanisms of M(CO)5 Cyclohexane M=(Cr, Mo, W) with Different Ligands
19:30 #II-43 poster Shinji Toyota Photoreactions of 1,8-Anthrylene-ethynylene Acyclic Oligomers
19:30 #II-44 poster Shinji Toyota Synthesis and Structures of 1,8-Anthrylene-alkynylene Cyclic Trimers with Strained Frameworks
19:30 #II-45 poster Satoshi Usui Photosolvolysis Mechanism of Phenacyl Mesylate
19:30 #II-46 poster Sonia Vilariño Patiño Photoreactivity of β- and γ-Lactams
19:30 #II-47 poster Małgorzata Wąsowska-Łukawska Influence of Transformation of the Amino Group in Anthracyclines into -N=CH-N< or -N=CH-O- Group on Their Biological Properties
19:30 #II-48 poster Tomasz Zieliński The Indole-Based Receptors for Anion Recognition
19:30 #II-49 poster Katarzyna Zientara DFT Studies of Amide-Iminol and Amine-Imine Tautomerism for Cytosine
19:30 #II-50 poster Anna Żubrowska Benzylaminoboronic Acids - Synthesis and Characterization
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