Tuesday, September 2
   17.00 - 19.00 h
POSTER SESSION A
Topic 1 - Molecular Structure
 
P1-1
  		 S. Akyuz, T. Akyuz
Vibrational Spectroscopic Study of 4-Aminopyrimidine Complexes   
P1-2
  
  		L. Andreeva, F. Trajkovic, J. Petreska
Investigation of the Vibrational Spectra of Some Partially Deuterated Cd(NH3)2Cl2, Hg(NH3)2Cl2, Pd(NH3)4Cl2 Complexes  
P1-3
  
  		L.M. Babkov, N.A. Davydova, K.E. Uspenskiy
2-Biphenylmethanol Vibrational Spectra and Their Interpretation Using Structural-Dynamical Model in Anharmonic Approximation   
P1-4
  
  		L.M. Babkov, I.I. Gnatyuk, G.A. Puchkovska, S.V. Truckhachev
The Investigation of 4-n-butyl-4’-cyanobiphenyl Conformational Mobility by IR Spectroscopy Methods   
P1-5
  
  		 L.M. Babkov, I.I. Gnatyuk, G.O. Puchkovska, K.E. Uspenskiy
The Appearance of Conformational Mobility of Behenic Acid in IR Spectra
P1-6
  
  		K. Balci, Y. Akkaya, S. Akyuz
A Theoretical Conformational Analysis and Vibrational Spectroscopic Investigation on Niflumic Acid   
P1-7
  
  		 Gonul Basar, S. Akyuz, Gunay Basar, S. Kröger
Studies on Kyotorphin and D-Kyotorphin in Aqueous Solution by Raman Spectroscopy
P1-8
 
  
  		C. Bayrak
Vibrational Spectroscopic Studies on the Td-Type Clathrates: M(N,N'-Dimethylethyle-ne-diamine)M'(CN)4.C6H6 (M = Mn, M' = Zn, Cd or Hg; M = Cd, M' = Cd or Hg)
P1-9
  
  		I. Iriepa, J. Bellanato, E. Gálvez , A.I. Madrid
Synthesis, Structural and Conformational Study of Some Esters Derived from 3-Methyl-3-azabicyclo[3.2.1]octan-8α-ol   
P1-10
  
  
  		M.E. Defonsi Lestard, M.E. Tuttolomondo, E.L. Varetti , D.A. Wann, H.E. Robertson, D.W.H. Rankin, A. Ben Altabef
Experimental Structure of CF3CO2CH2CF3 from Electron Diffraction Data, Infrared Spectra and Quantum Chemical Calculation of Vibrational Properties  
P1-11
  
  		E. Benassi, I. Baraldi, S. Ciorba, I. Škorić, M. Šindler-Kulyk, A. Spalletti
New Organic Fluorophores for Optical and Spectroscopic Applications: 2,3- and 2,5-Distyrylfuran    
P1-12
  		 E. Benassi, P.S. Sherin
Combined Experimental and Theoretical Study on the Kynurenine   
P1-13
  		A. Borba, A. Gómez-Zavaglia, R. Fausto
Photochemistry and Vibrational Spectra of Matrix-Isolated Isoniazid  
P1-14
  
  		D.K. Breitinger, G. Brehm, J. Zürbig, M. Weil, S. Baumann
Bis(sulfito)mercurates M2[Hg(SO3)2]-xH2O (M = NH4, Na, K; x = 0, 1, 2.25). Vibrational Spectra of the Solids and of Aqueous Solutions.   
P1-15
  
  		 D.K. Breitinger, M. Moll, G. Brehm
Sulfito Mercurate Complexes in Solution Studied by 199Hg NMR Spectrometry
P1-16
  
  		J. Ceponkus, D. Lesciute, V. Sablinskas
Association of Water with Small Monocarboxylic Acids. Matrix Isolation Infrared Absorption Study.   
P1-17
  
  		 V. Chiş, R. Ştiufiuc, N. Leopold
Molecular and Electronic Structure of PTCDI and Melamine-PTCDI Complex
P1-18
  
  		K. Cholewa-Kowalska, M. Laczka, Z. Olejniczak
Effect of Organic Modifiers on the Solution Viscosity, Gelation Time and Progress of Hydrolysis/Condensation Reactions during Hybrid Gels Formation  
P1-19
  
  		A. Nikolić, B. Jović, E. Davidović, S. Petrović
N−H•••O Hydrogen Bonding. FT-IR and NIR Study of N-Methylformamide-Ether Systems.   
P1-20
  
  		 Z. Dega-Szafran, M. Szafran
Experimental and Theoretical Vibrational Spectra of Piperidine-2-carboxylic Acid
P1-21
  
  		Z. Dega-Szafran, A. Katrusiak, M. Szafran
Molecular Structure of the Hydrated Complex of 1,4-dimethylpiperazine di-betaine with L-tartaric Acid Studied by X-ray Diffraction and FTIR   
P1-22
  
  		I. Despotović, Z.B. Maksić
Towards Organic Conductors - the Structure and Stability of Cyano-[n]-Radialenes and Their Dianions   
P1-23
    		M.E. Jamróz, M.H. Jamróz, J.E. Rode, J.Cz. Dobrowolski
Interpretation of Vibrational Spectra of Allyl Acrylate   
P1-24
     		K. Furić, B.-M. Kukovec, Z. Popović
Raman Study of Nickel(II) Complexes with 6-Methylpicolinic   
P1-25
  
  
  		J. Polovková, A. Gatial, M. Gróf, J. Kožíšek, V. Milata, N. Prónayová, P. Matĕjka
Isomerizational and Conformational Study of 3-Cyclopropylamino-2-Acetyl Propene-nitrile (CpAAP) and 3-Cyclopropylamino-2-Methylsulfonyl Propenenitrile (CpASP)
P1-26
  		 I. Gocan, C. Nagy, M.M. Venter, V. Bercean, L. David
Spectral Investigations on Metal Complexes of Heterocyclic N,S–Donors  
P1-27
  
  
  		M. Gróf, A. Gatial, J. Kožíšek, V. Milata, P. Matĕjka
Conformational Analysis of Aminomethylene- and Methylaminomethylene-Malonic Acid Dimethylester 
P1-28
    
  		 M. Gróf, A. Gatial, J. Kožíšek, V. Milata, P. Matĕjka
Conformational Analysis of Dimethylaminomethylene-Malonic Acid Dimethyl Ester
P1-29
  
  
  		Ł. Hetmańczyk, J. Hetmańczyk, A. Migdał-Mikuli, E. Mikuli
Phase transition and H2O motions in [Ba(H2O)4](ClO4)2 studied by differential scanning calorimetry, infrared spectroscopy and inelastic/quasielastic incoherent neutron scattering   
P1-30
  
  		I. Jelovica Badovinac, N. Orlić, C. Gellini, L. Moroni, P.R. Salvi
Micro-Raman and Computational Study of the Azoxybenzene Photorearrangement to 2-Hydroxybenzene  
P1-31
  
  		M. Juribašić, L. Stella, Ž. Marinić, M. Vinković, Lj. Tušek-Božić
Microwave Synthesis and Spectroscopic Study of 3-Quinoline-substituted α-Amino-phosphonates   
P1-32
  
  		M. Jurić, P. Planinić, D. Žilić, B. Rakvin, B. Prugovečki
A New Heterometallic (Ni2+ and Cr3+) Complex – Crystal Structure and Spectroscopic Characterization   
P1-33
  
   		A. Kocot, K. Merkel, J. Ziolo
Investigation of Liquid-Liquid Phase Transition for Trans-1,2 dichlorethylene
P1-34
  
  		N. Kuş, S. Breda, E.M.S. Eusébio, T.M.R. Estronca, R. Fausto
Matrix Isolation Spectrum, UV-Induced Photochemistry (λ > 215 nm) and Differential Scanning Calorimetry Analysis of 3-(N-Acetamide)-Coumarin   
P1-35
  
  		S. Lopes, A. Gómez-Zavaglia, C. M. Nunes, T.M.V.D. Pinho e Melo, R. Fausto
Photochemistry and Vibrational Spectra of Matrix Isolated Methyl 4-Chloro-5-Phenylisoxazole-3-Carboxylate   
P1-36
  
  		 L. Macalik, M. Mączka, J. Hanuza, A.A. Kaminskii
Polarized Raman and IR spectra of the orthorhombic CaNb2O6:Pr3+ single crystal
P1-37
  
  		W. Makulski, A. Wikieł
Nuclear Magnetic Shielding and Spin-spin Coupling Constants for Acetaldehyde from Gas-phase NMR Spectroscopy   
P1-38
   		K.M. Marzec, K. Malek, B. Gawel, W. Lasocha, L.M. Proniewicz
Structure Determination of Ag(I) Ion Complex of Rhodanine   
P1-39
   		K. Malek, M. Makowski, L.M. Proniewicz
Raman Spectroscopy in Studies on the Selected Dehydropeptides   
P1-40
  
  		K.M. Marzec, K. Malek, A. Kaczor, L.M. Proniewicz
Conformational and Vibrational Analysis of Selected Monoterpenoids by Using Density Functional Theory   
P1-41
  
  		S. Miljanić, Z. Meić, G. Keresztury
Polarized Vibrational Spectra of p-Substituted Nitro and Dinitro cis- and trans-Stilbenes   
P1-42
  
  		I. Movre Šapić, L. Bistričić, V. Volovšek, V. Dananić
DFT Study of Molecular Structure and Vibrations of 3-Glycidoxypropyltrimethoxy-silane   
P1-43
  
  		P. Novak, K. Pičuljan, T. Hrenar, M. Rubčić, M. Cindrić
Solution State Structure of Methoxysalicylaldehyde Thiosemicarbazone Derivatives by NMR and DFT Methods   
P1-44
  
  		P. Forgó, G. Dombi, K. Felföldi, I. Pálinkó
Conformations of Z-2(3’-pyridyl)-3-phenyl Propenoic Acid in Various Solvents - an NMR Study Supplemented with Computations   
P1-45
  
  
  		I. Pálinkó, J. Mink
Determining the Positions of Aromatic Hydrogens in (ar)C-H…X (X = O or F) Hydrogen Bonded Assemblies of Phenyl-phenyl, Phenyl-furyl Substituted Propenoic Acids and Esters from Their FTIR Spectra   
P1-46
  		 N. Peran, Z.B. Maksić
Calculating pKa of Some α-Aminoacids Using Cluster-Continuum Model 
P1-47
  
  
  		G. Petruševski, P. Naumov, G. Jovanovski
Fourier Transform Infrared Spectroscopic Analysis of the Solvates and Polymorphs of Sodium Valproate, Active Component of the Anticonvulsant Drug Epilim®
P1-48
  
  		K. Pičuljan, P. Novak, K. Užarević, M. Cindrić, T. Hrenar, T. Jednačak
Hydrogen Bonding and Deuterium Isotope Effects in 13C NMR Spectra of Phenylene Enaminones Derived from Dehydracetic Acid   
P1-49
  
  		M. Randić, K. Mehulić, D. Vukičević, T. Pisanski, D. Vikić-Topić, D. Plavšić
Graphical Representation of Proteins as Four-Color Maps and Their Numerical Characterization   
P1-50
  
 		 S. Rada, V. Maties, M.Rada, L. Pop, E. Culea
The Local Structure of Europium Lead-Borate Glasses and Glass Ceramics 
P1-51
  
 
  		S. Rada, M. Barlea, D. Chicea, E. Culea
Structural properties of Gadolinium Borate-Tellurate Glasses and Glass Ceramics Inferred from FTIR spectroscopy and DFT Studies
P1-52
 
 		 J.Cz. Dobrowolski, M.H. Jamróz, R. Kołos, J.E. Rode, J. Sadlej
IR Low-temperature Matrix and Ab Initio Study on β-Alanine Conformers
P1-53
  		 M. Ristova, G. Petruševski, A. Raškovska, B. Šoptrajanov
Vibrational Spectra of Hydrates of Some Metal(II) Malonates   
P1-54
  
  		D. Rusu, O. Baban, I. Hauer, L. David, M. Rusu
Synthesis and Physical Chemical Characterization of The Potassium 11-Tungsto-vanado(IV) Phosphate Anion   
P1-55
  
  		S.G. Sagdinc, B. Köksoy, F. Kandemirli, S.H. Bayari
Spectroscopic and Theoretical Studies of 5-Fluoro-isatin-3-(N-cyclohexylthiosemi-carbazone) and Its Metal Complexes   
P1-56
  
  		M. Sałdyka, B. Golec, Z. Mielke
Spectroscopy and Photochemistry of Glyoxal-Hydroxylamine Complexes. Matrix Isolation and Theoretical Study    
P1-57
  
  		M. Sitarz, Z. Fojud, Z. Olejniczak
Submicroheterogenical Structure of Silico-Phosphate Glasses Studied by 23Na, 27Al, 31P NMR and FTIR     
P1-58
  
  		İ. Sıdır, E. Taşal, Y. Gülseven, R. Fausto, T. Önkol
Molecular Structure, Infrared Spectra and Some Molecular Properties of 5-Chloro-6-(4-chlorobenzoyl)-2-benzothiazolinone   
P1-59
  
  		V. Smrečki, P. Novak, D. Vikić-Topić, Z. Meić
Deuterium Isotope Effects in 13C NMR Spectra of ortho-, meta- and para Deuterium Labelled Mono- and Binuclear Aromatic Compounds   
P1-60
   
  		 D. Vojta, G. Baranović
Raman Study of Anharmonic Effects in Vibrational Spectra of Acetylenic Compounds 
P1-61
  
  		 S.X. Zhou, D.T. Durig, J.R. Durig
Vibrational Spectra and Structural Parameter of Methyl and Ethyl Isocyanate 
P1-62
  		 D. Vojta, B. Zimmermann, G. Baranović
Vibrational Analysis of Diacetylenic Aromatic Compounds   
P1-63
  

S. Rada, P. Pascuta, M. Culea, M. Pica, E. Culea
Vibrational Spectroscopic and DFT Studies of Gadolinium Vanado-Tellurite Glasses and Glass Ceramics   

P1-64
  
  
  

V. Stefov, A. Cahil, B. Šoptrajanov, M. Najdoski, F. Spirovski, B. Engelen, H.D. Lutz, V. Koleva
Fourier Transform Infrared and Raman Spectra of Hexagonal MgCsPO4•6H2O