Cracow University of Technology

Physical Organic Chemistry and Organocatalysis
Research Group
Home     Team     Publications     Substance index     Download     Contact    
News
[11.03.2019]

New paper entitled "Competition between [2+1]- and [4+1]-cycloaddition mechanisms in reactions of conjugated nitroalkenes with dichlorocarbene in the light of DFT computational study" has been accepted for publication in Journal of Molecular Modeling. More information in "publications" section ...
[6.03.2018]

New paper entitled "Understanding of the molecular mechanism of the phenylsulfenic acid elimination from nitroalkyl systems" has been accepted for publication in Journal of Molecular Graphics and Modelling. More information in "publications" section ...
[27.02.2019]

New paper entitled "Novel Functionalized beta-Nitrostyrenes: Promising Candidates for New Antibacterial Drugs" has been accepted for publication in Saudi Pharmaceutical Journal. More information in "publications" section ...
[11-20.02.2019]

Dr Agnieszka Kacka-Zych and MSc Karolina Kula finished scientific training in the Theoretical Organic Chemistry Research Group of Professor Luis Domingo at the University of Valencia (Spain).
[01.02.2019]

New paper entitled "New rigid polycyclic bis(phosphane) for asymmetric catalysis" has been accepted for publication in Molecules. More information in "publications" section ...
[24.01.2019]

New paper entitled " Understanding the molecular mechanism rearrangement of internal nitronic ester into nitronorbornene in the light of MEDT study" has been accepted for publication in Molecules. More information in "publications" section ...
[14.01.2019]

New paper entitled "A Molecular Electron Density Theory study of the Lewis acid – catalyzed decomposition reaction of nitroethyl benzoate using aluminium derivatives" has been accepted for publication in Journal of Physical Organic Chemistry. More information in "publications" section ...
[19.12.2018]

New paper entitled "Recent progress in the field of cycloaddition reactions involving conjugated nitroalkenes" has been accepted for publication in Current Chemistry Letters. More information in "publications" section ...
[3.12.2018]

New paper entitled "The influence of Lewis acid catalyst on the kinetic and molecular mechanism of nitrous acid extrusion from 3-phenyl-5-nitro-2-isoxazoline: DFT computational study" has been accepted for publication in Chemistry of Heterocyclic Compounds. More information in "publications" section ...
[23.11.2018]

Our group has participated in 21th International Symposium 'Advances in the Chemistry of Heteroorganic Compounds' in Lodz.
[19.11.2018]

Agnieszka Kacka-Zych won the first prize in the AKC Cyfronet competition for the best doctoral dissertation in the field of computational sciences. The title of the dissertation: "Theoretical study on the mechanism of the thermal elimination of carboxylic acids from nitroalkyl carboxylates".
[15.10.2018]

New paper entitled "Regioselectivity, stereoselectivity and molecular mechanism of [3+2] cycloaddition reactions between 2-methyl-1-nitroprop-1-ene and (Z)-C-aryl-N-phenylnitrones in the light of DFT computational study" has been accepted for publication in Journal of Molecular Modeling. More information in "publications" section ...
[2.07.2018]

New paper entitled "Experimental and Computational Studies on Stepwise [3+2]-Cycloadditions of Diaryldiazomethanes with Electron-Deficient Dimethyl (E)- and (Z)-2,3-Butenedioates" has been accepted for publication in European Journal of Organic Chemistry. More information in "publications" section ...
[14.05.2018]

New paper entitled "Regiospecific formation of the nitromethyl-substituted 3-phenyl-4,5-dihydroisoxazole via [3+2] cycloaddition" has been accepted for publication in Monatshefte fur Chemie. More information in "publications" section ...
[18-19.04.2018]

Our group has participated in International Conference in Czerniovce (Ukraine).
[18.04.2018]

We are pleased to inform you that Miss Agnieszka Kacka-Zych has successfully passed the exams and is currently a PhD in the field of organic chemistry. Congratulations!
[15.02.2018]

New paper entitled "A DFT computational study on the [3+2] cycloaddition between parent thionitrone and nitroethene" has been accepted for publication in Current Chemistry Letters. More information in "publications" section ...
[5.01.2018]

New paper entitled "Competition between one-step and two-step mechanism in polar [3+2] cycloadditions of (Z)-C-(3,4,5-trimethoxyphenyl)-N-methyl-nitrone with (Z)-2-EWG-1-bromo-1-nitroethenes" has been accepted for publication in Computational and Theoretcal Chemistry. More information in "publications" section ...
[27.12.2017]

New paper entitled "Green in water sonochemical synthesis of tetrazolopyrimidine derivatives by a novel core-shell magnetic nanostructure catalyst" has been accepted for publication in Ultrasonics Sonochemistry. More information in "publications" section ...
[7.12.2017]

New paper entitled "B-Trifluoromethylated nitroethenes in Diels-Alder reaction with cyclopentadiene: A DFT computational study" has been accepted for publication in Journal of Fluorine Chemistry. More information in "publications" section ...
[23-24.11.2017]

Our group has participated in 20th International Symposium 'Advances in the Chemistry of Heteroorganic Compounds' in Lodz.
[9.10.2017]

New paper entitled "Understanding the mechanism of the decomposition reaction of nitroethyl benzoate through the Molecular Electron Density Theory" has been accepted for publication in Theoretical Chemistry Accounts. More information in "publications" section ...
[9.08.2017]

New paper entitled "Does a fluorinated Lewis acid catalyst change the molecular mechanism of the decomposition process of nitroethyl carboxylates?" has been accepted for publication in Research on Chemical Intermediates. More information in "publications" section ...
[22.07.2017]

New paper entitled "A full regio- and stereoselective synthesis of 4-nitroisoxazolidines via stepwise [3+2] cycloaddition reactions between (Z)-C-(9-anthryl)-N-arylnitrones and (E)-3,3,3-trichloro-1-nitroprop-1-ene: comprehensive experimental and theoretical study" has been accepted for publication in Journal of Heterocyclic Chemistry. More information in "publications" section ...
[9.06.2017]

New paper entitled "A unique example of non-catalyzed [3+2] cycloaddition involving (2E)-3-aryl-2-nitroprop-2-enenitriles" has been accepted for publication in Chemistry of Heterocyclic Compounds. More information in "publications" section ...
[28.05.2017]

New paper entitled "A clean and simple method for deprotection of phosphines from borane complexe" has been accepted for publication in Pure and Applied Chemistry. More information in "publications" section ...
[16.05.2017]

New paper entitled "A DFT computational study on the molecular mechanism of reaction between pyridinium salts and pi-deficient ethylenes: why furan derivatives are formed instead of feasible cyclopropane derivatives and/or [3+2] cycloadducts?" has been accepted for publication in Computational and Theoretical Chemistry. More information in "publications" section ...
[11.05.2017]

Our group has participated in Conference for young scientific in Lodz.
[24-28.04.2017]

Our group has participated in International Conference in Czerniovce (Ukraine).
[7.04.2017]

New paper entitled "One-step versus two-step mechanism of Diels-Alder reaction of 1-chloro-1-nitroethene with cyclopentadiene and furan" has been accepted for publication in Journal of Molecular Graphics and Modelling. More information in "publications" section ...
[27.03.2017]

New paper entitled "A quantum-chemical DFT approach to elucidation of the chirality transfer mechanism of the enantioselective Suzuki-Miyaura cross-coupling reaction" has been accepted for publication in Journal of Chemistry. More information in "publications" section ...
[9.02.2017]

New paper entitled "A dramatic change of kinetic conditions and molecular mechanism of decomposition processes of nitroalkyl carboxylates catalyzed by ethylammonium cations" has been accepted for publication in Computational and Theoretical Chemistry. More information in "publications" section ...
[1.02.2017]

New paper entitled "Triethylsulfonium and triethylphosphonium cations as novel catalysts for the decomposition process of nitroethyl benzoates" has been accepted for publication in Phosphorus Sulfur and Silicon and the Related Elements. More information in "publications" section ...
[10.12.2016]

New paper entitled "Unexpected course of reaction between (E)-2-aryl-1-cyano-1-nitroethenes and diazafluorene: why is there no 1,3-dipolar cycloaddition?" has been accepted for publication in Monatshefte für Chemie. More information in "publications" section ...
[28.11.2016]

New paper entitled "A DFT computational study on molecular mechanism of [3+2] cycloaddition reactions between nitroethene and benzonitrile N-oxides" has been accepted for publication in Journal of Molecular Modeling. More information in "publications" section ...
[25.11.2016]

Our group has participated in 19th International Symposium 'Advances in the Chemistry of Heteroorganic Compounds' in Lodz.
[29.09.2016]

We prepared chemical demonstrations for learners from primary schools from Krakow and Bochnia.
[28.09.2016]

MSc Karolina Kula Karolina was started PhD study on Cracov University of Technology.
[11-16.09.2016]

Our group has participated in Fifteenth Ukrainian — Polish Symposium on Theoretical and Experimental Studies of Interface Phenomena and their Technological Applications in Lviv (Ukraine)
[25.07.2016]

MSc Agnieszka Kacka finished scientific training in the Theoretical Organic Chemistry Research Group of Professor Luis Domingo at the University of Valencia (Spain).
[15.07.2016]

New paper entitled "A DFT mechanistic study of thermal decomposition reactions of nitroethyl carboxylates: undermine of “pericyclic” insight" has been accepted for publication in Heteroatom Chemistry. More information in "publications" section ...
[01.07.2016]

Miss Karolina Kula is now a Master of Science :)
[27-28.06.2016]

Our group has participated in Silesian Meeting on Polymer Materials in Zabrze.
[4.06.2016]

Our group has participated in XIX Conference "Chemical elements in the Environment and Medicine" in Lublin.
[20.05.2016]

New paper entitled "A reexamination of molecular mechanism of Diels-Alder reaction between tetrafluoroethene and cyclopentadiene" has been accepted for publication in Reaction Kinetics, Mechanisms and Catalysis. More information in "publications" section ...
[9.05.2016]

Learners from chemical technical school was started the practice in our group.
[22.04.2016]

Our group has participated in International Conference in Czerniovce (Ukraine).
[09.03.2016]

New paper entitled "First example of stepwise, zwitterionic mechanism for bicyclo[2.2.1]hept-5-ene (norbornene) formation process catalyzed by the 1-butyl-3-methylimidazolium cations" has been accepted for publication in Monatshefte fur Chemie. More information in "publications" section ...
[10.01.2016]

Chapter "The halogenless catalytic transition metal mediated cross-coupling reactions. A sustainable alternative for utilisation of organohalides." has been accepted for publication in new book published by Springer. More information in near future ...
[19.12.2015]

New paper entitled "In the search for experimental and quantumchemical evidence for zwitterionic nature of (2E)-3-[4-(dimethylamino)phenyl]-2-nitroprop-2-enenitrile - an extreme example of donor-p-acceptor push-pull molecule" has been accepted for publication in Journal of Molecular Structure. More information in "publications" section ...
[20.11.2015]

Our group has participated in XVIII International Symposium "Advanced in the Chemistry of Heteroorganic Compounds" in Łódz.
[17.11.2015]

New paper entitled "In the searching for zwitterionic intermediates on reaction paths of [3+2] cycloaddition reactions between 2,2,4,4-tetramethyl-3-thiocyclobutanone S-methylide and polymerizable olefins" has been accepted for publication in RSC Advances. More information in "publications" section ...
[21-25.09.2014]

Our group has participated in Polish Chemical Society Meeting in Gdansk.
[23.06.2015]

New paper entitled "New insights into the mechanism of reduction of tertiary phosphine oxides by means of phenylsilane" has been accepted for publication in Heteroatom Chemistry. More information in "publications" section ...
[19.06.2015]

Visit of children from primary school in Bochnia at our institute.
[16.06.2015]

New paper entitled "Organophosphorus ligands: recent developments in design, synthesis and application in environmentally benign catalysis" has been accepted for publication in Phosphorus Sulfur and Silicon and the Related Elements. More information in "publications" section ...
[09.06.2015]

New paper entitled "Novel synthesis scheme and in vitro antimicrobial evaluation of a panel of (E)-2-aryl-1-cyano-1-nitroethenes" has been accepted for publication in Journal of Enzyme Inhibition and Medicinal Chemistry. More information in "publications" section ...
[20.05.2015]

New paper entitled "A new mechanistic insight on beta-lactam systems formation from 5-nitroisoxazolidines" has been accepted for publication in RSC Advances. More information in "publications" section ...
[14.05.2015]

New paper entitled "Kinetic aspects of [3+2] cycloaddition reactions between (E)-3,3,3-trichloro-1-nitroprop-1-ene and ketonitrones" has been accepted for publication in Reaction Kinetics, Mechanisms and Catalysis. More information in "publications" section ...
[29.04.2015]

New paper entitled "On the question of zwitterionic intermediates in 1,3-dipolar cycloadditions between hexafluoroacetone and sterically crowded diazocompounds" has been accepted for publication in Journal of Fluorine Chemistry. More information in "publications" section ...
[23.04.2015]

New paper entitled "A desulfonylation process as easy route for synthesis of 1,4-dinitro-1,3-dienes: mechanistic study" has been accepted for publication in Phosphorus Sulfur and Silicon and the Related Elements . More information in "publications" section ...
[16-18.04.2015]

Our group has participated in X Polish National Symposium of Organic Chemistry in Lodz.
[29.03.2015]

New paper entitled "Experimental and theoretical DFT study on synthesis of sterically crowded 2,3,3,(4)5-tetrasubstituted-4-nitroisoxazolidines via 1,3-dipolar cycloaddition reactions between ketonitrones and conjugated nitroalkenes" has been accepted for publication in Journal of Heterocyclic Chemistry. More information in "publications" section ...
[15.03.2015]

A visit to the nuclear power plant in Temelin (Czech Republic) ...
[25.01.2015]

New paper entitled "A polar nature of benzoic acids extrusion from nitroalkyl benzoates: DFT mechanistic study" has been accepted for publication in Journal of Molecular Modeling. . More information in "publications" section ...
[24.01.2015]

New paper entitled "Nitroallylic Systems in [2+3] Cycloaddition Reactions with Nitrones" is available online. More information in "publications" section ...
[15.12.2014]

New paper entitled "Nitroacetylene as dipolarophile in [2+3] cycloaddition reactions with allenyl-type three-atom components (TACs): DFT computational study" has been accepted for publication in Monatshefte fur Chemie. More information in near future ...
[2.12.2014]

New paper entitled "A stepwise, zwitterionic mechanism for the 1,3-dipolar cycloaddition between (Z)-C-4-methoxyphenyl-N-phenylnitrone and gem-chloronitroethene catalyzed by the 1-butyl-3-methylimidazolium ionic liquid" has been accepted for publication in Tetrahedron Letters. More information in "publications" section ...
[28.11.2014]

New paper entitled "The crystal structure of (1RS,4RS,5RS,6SR)-5-cyano-5-nitro-6-phenyl-bicyclo[2.2.1]hept-2-ene" has been published on-line. More information in "publications" section ...
[23-26.11.2014]

Our group has participated in XVII Conference "Chemistry for Agriculture" in Karpacz.
[21.11.2014]

Our group has participated in XVII International Symposium "Advanced in the Chemistry of Heteroorganic Compounds" in Łódz.
[6.11.2014]

New paper entitled "An experimental and theoretical study of the hetero Diels-Alder reactions between (E)-2-aryl-1-cyano-1-nitroethenes and ethyl vinyl ether: one-step or zwitterionic, two-step mechanism?" has been published on-line. More information in "publications" section ...
[5.11.2014]

Our group co-organized a seminar "Biochemical and behavioral interactions of the psychostimulants".
[23.10.2014]

New paper entitled "A DFT computational study on the molecular mechanism of the nitro group migration in the product derived from 3-nitro-2-(trifluoromethyl)-2H-chromene and 2-(1-phenylpropylidene)malononitrile" has been accepted for publication in Journal of Fluorine Chemistry. More information in "publications" section ...
[5.10.2014]

In polish mountain - with members of the research groups from Institute of Organic Chemistry and Technology.
[14-18.09.2014]

Our group has participated in Polish Chemical Society Meeting in Częstochowa.
stat4u