Department of Reaction Kinetics

Molecular mechanism, kinetics and dynamics of elementary chemical, photochemical and photophysical processes studied by direct experimental methods and quantum chemical computations.

Reaction kinetics and thermochemistry of gas-phase elementary reactions of combustion and atmospheric importance.

Relaxation kinetics of electronically excited molecules in the liquid phase, photoinduced electron transfer, effect of hydrogen-bonding on photophysical properties.

Investigation of the overall kinetics, product yields and the role of hydrogen-bridged complexes for the reactions of OH radicals with aliphatic ketones.

Determination of photolysis quantum yields for aliphatic ketones in a wide range of tropospheric conditions (contribution to the EU Integrated Project SCOUT-O3).

Kinetic studies on the atmospheric fate of the free radicals CH₃CO and CH₂C(O)CH₃: self reactions, reactions with O₂, NO_x and unimolecular decomposition.

Establishment of structure-activity relationships: reactions of OH radicals with a series of formates, halocarbonyls and fluoro-alcohols.

Kinetic investigations of the bromination equilibrium reactions:
Br + RH <-> R + HBr (R = C₂H₅, CHClBr, CH₃CO and CH₂C(O)CH₃), determination of enthalpies of formation for free radicals.

Temperature and pressure dependence studies on multichannel radical-radical reactions of the (ROH) * and (RC(O)O₂) * reaction systems (R = alkyl).

Laser induced fluorescence and UV-absorption spectroscopic studies of acyl-, acylperoxyl- and alkoxyl radicals.

Development, testing and analysis of a detailed mechanism for methane combustion.

Research and technical development of metal vapour lasers. Construction of a new-type copper vapour laser to be used in laboratory atmospheric-chemistry experiments and offered for clinical testing in dermatology.

Effect of hydrogen bonding on the fluorescence of naphtalimide and phenantridinone derivatives; photophysical properties of phenantridinone derivatives.

Examination of the thermocromism of dual luminescence systems, effects of solvent properties and complex formation.

Deactivation of electronically excited carbonyl molecules at high pressure in the liquid phase.

Photoinitiated hydrogen bond formation between alcohols and aromatic hydrocarbons.

Discharge flow apparatus (2) coupled with resonance-fluorescence (RF) and laser induced fluorescence (LIF) detection methods.

Laser flash photolysis apparatus (3) coupled with RF, LIF and transient UV-absorption (TAS) detection methods.

Excimer lasers (4), Nd:YAG laser, dye lasers (2).

Time-correlated single-photon counting equipment.

Spectro-fluorimeter, spectro-photometer, gas-chromatograph.

Max-Planck Institut für biophysikalische Chemie, Abteilung Spektroskopie und photochemische Kinetik, Göttingen, Germany, Dr. K. A. Zachariasse.

University of Crete, Department of Chemistry, Heraklion, Greece, Prof. P. Papagiannakopoulos.

University of Extremadura, Department of Chemical Physics, Badajoz, Spain, Prof. J. Espinosa-García.

University of Göttingen, Department of Physical Chemistry, Germany, Prof. H. Gg. Wagner.

University of Kiel, Department of Physical Chemistry, Germany, Prof. F. Temps.

University of Reims, Department of Chemical Physics, France, Dr. E. Henon.

Wroclaw University of Medicine, Department of Physical Chemistry, Poland, Dr. D. Sarzynski.

Special courses at the University of Szeged.
Ph.D. program of the Budapest University of Technology and Economics.
Special and practical courses in photochemistry, Eötvös University, Budapest.

Department of Reaction Kinetics
head:	Sándor Dóbé	D.Sc.	dobechemreshu
staff:	Attila Demeter	C.Sc.	demeterchemreshu
	Rebeka Nádasni	Ph.D. student	rnadasdichemreshu
	István Szilágyi	Ph.D.	iszilagychemreshu
	Gábor Kovács	D.univ.	xlaserchemreshu
	Gergely Kovács	Ph.D. student	kovgechemreshu




Research interest:
Molecular mechanism, kinetics and dynamics of elementary chemical, photochemical and photophysical processes studied by direct experimental methods and quantum chemical computations. Reaction kinetics and thermochemistry of gas-phase elementary reactions of combustion and atmospheric importance. Relaxation kinetics of electronically excited molecules in the liquid phase, photoinduced electron transfer, effect of hydrogen-bonding on photophysical properties.


Current research projects:
Investigation of the overall kinetics, product yields and the role of hydrogen-bridged complexes for the reactions of OH radicals with aliphatic ketones. Determination of photolysis quantum yields for aliphatic ketones in a wide range of tropospheric conditions (contribution to the EU Integrated Project SCOUT-O3). Kinetic studies on the atmospheric fate of the free radicals CH₃CO and CH₂C(O)CH₃: self reactions, reactions with O₂, NO_x and unimolecular decomposition. Establishment of structure-activity relationships: reactions of OH radicals with a series of formates, halocarbonyls and fluoro-alcohols. Kinetic investigations of the bromination equilibrium reactions: Br + RH <-> R + HBr (R = C₂H₅, CHClBr, CH₃CO and CH₂C(O)CH₃), determination of enthalpies of formation for free radicals. Temperature and pressure dependence studies on multichannel radical-radical reactions of the (ROH) * and (RC(O)O₂) * reaction systems (R = alkyl). Laser induced fluorescence and UV-absorption spectroscopic studies of acyl-, acylperoxyl- and alkoxyl radicals. Development, testing and analysis of a detailed mechanism for methane combustion. Research and technical development of metal vapour lasers. Construction of a new-type copper vapour laser to be used in laboratory atmospheric-chemistry experiments and offered for clinical testing in dermatology. Effect of hydrogen bonding on the fluorescence of naphtalimide and phenantridinone derivatives; photophysical properties of phenantridinone derivatives. Examination of the thermocromism of dual luminescence systems, effects of solvent properties and complex formation. Deactivation of electronically excited carbonyl molecules at high pressure in the liquid phase. Photoinitiated hydrogen bond formation between alcohols and aromatic hydrocarbons.

Equipment:
Discharge flow apparatus (2) coupled with resonance-fluorescence (RF) and laser induced fluorescence (LIF) detection methods. Laser flash photolysis apparatus (3) coupled with RF, LIF and transient UV-absorption (TAS) detection methods. Excimer lasers (4), Nd:YAG laser, dye lasers (2). Time-correlated single-photon counting equipment. Spectro-fluorimeter, spectro-photometer, gas-chromatograph.

International cooperation:
Max-Planck Institut für biophysikalische Chemie, Abteilung Spektroskopie und photochemische Kinetik, Göttingen, Germany, Dr. K. A. Zachariasse. University of Crete, Department of Chemistry, Heraklion, Greece, Prof. P. Papagiannakopoulos. University of Extremadura, Department of Chemical Physics, Badajoz, Spain, Prof. J. Espinosa-García. University of Göttingen, Department of Physical Chemistry, Germany, Prof. H. Gg. Wagner. University of Kiel, Department of Physical Chemistry, Germany, Prof. F. Temps. University of Reims, Department of Chemical Physics, France, Dr. E. Henon. Wroclaw University of Medicine, Department of Physical Chemistry, Poland, Dr. D. Sarzynski.

Educational activities:
Special courses at the University of Szeged. Ph.D. program of the Budapest University of Technology and Economics. Special and practical courses in photochemistry, Eötvös University, Budapest.