A5044471041- Advanced Chemical Physics Studies
- Molecular Spectroscopy and Structure
- Chemical Reactions and Mechanisms
- Organic Chemistry Cycloaddition Reactions
- Synthesis and Biological Evaluation
- Molecular Junctions and Nanostructures
- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Inorganic and Organometallic Chemistry
- Photochemistry and Electron Transfer Studies
- Inorganic Fluorides and Related Compounds
- Atmospheric Ozone and Climate
- Synthesis and characterization of novel inorganic/organometallic compounds
- Nanomaterials for catalytic reactions
- Catalytic Processes in Materials Science
- Spectroscopy and Laser Applications
- Inorganic Chemistry and Materials
- Chemical Synthesis and Reactions
- Gas Sensing Nanomaterials and Sensors
- Nonlinear Optical Materials Research
- Organoselenium and organotellurium chemistry
- Thermal and Kinetic Analysis
- Multicomponent Synthesis of Heterocycles
- Electrochemical sensors and biosensors
- Fluorine in Organic Chemistry
Fiji National University
2018-2025
Eötvös Loránd University
2010-2019
University of Guelph
1995-2008
Budapest University of Technology and Economics
2001-2008
Hungarian Academy of Sciences
2003
Tohoku University
1999
Budapest Institute
1988-1998
Abstract Development of next‐generation sensor devices is gaining tremendous attention in both academia and industry because their broad applications manufacturing processes, food environment control, medicine, disease diagnostics, security defense, aerospace, so forth. Current challenges include the development low‐cost, ultrahigh, user‐friendly sensors, which have high selectivity, fast response recovery times, small dimensions. The critical demands these new sensors are typically...
The vibrational spectra of the ionic liquid 1-ethyl-3-methylimidazolium acetate and its mixtures with water carbon dioxide are calculated using ab initio molecular dynamics simulations, results compared to experimental data. new implementation a normal coordinate analysis in trajectory analyzer TRAVIS is used assign experimentally observed bands specific vibrations. applied computational approaches prove be particularly suitable for modeling bulk phase effects on spectra, which highly...
Carbon microsphere-supported Cu nanoparticles were fabricated, characterized, and applied for synthesis.
The kava beverage of the Pacific is known for its intoxicating, soothing and relaxing effects, attributed to a group compounds (called kavalactones) produced by plant. An unfavorable kavalactone profile, however, contributes side including hepatotoxicity. Therefore, chemical quality key importance consumer safety. This work investigated cultivated on Taveuni, Qamea, Rabi Islands quantifying main kavalactones in roots rhizomes eighty-eight plants using HPLC method. It was concluded that...
Abstract A new and simple method is developed to synthesize carbon microspheres decorated with iron sulfide nanoparticles for mercury ion removal from water. The synthesis based on carbonizing polystyrene–divinylbenzene-based iron(III) sulfate-loaded cation exchange resins between 500 1000 °C. phase composition, surface area, morphology of these materials are characterized by various spectroscopic diffraction techniques, including Mössbauer spectroscopy, powder X-ray diffraction, Raman...
Abstract For the first time : Thiofulminic acid (HCNS), parent member of nitrile sulfide family reactive intermediates and potential interstellar species, was produced characterized by IR spectroscopy for time. HCNS generated in cryogenic matrices 254 nm UV irradiation 1,2,5‐thiadiazole (see figure). magnified image
The [3 + 2] and 3] cyclodimerisation processes of small nitrile oxides, XCNO (X = F, Cl, Br, CN, CH3) are investigated by ab initio coupled cluster theory at the CCSD, CCSD(T) MR-AQCC levels for first time. favoured dimerisation process is a multi-step reaction to furoxans (1,2,5-oxadiazole-2-oxides) involving dinitrosoalkene-like intermediates with diradical character. rate determining step all but F-species first, corresponding C–C bond formation. kinetic energy barrier depends on nature...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTGas-Phase Generation of the Unstable BrCNO Molecule and Its Stable Dibromofuroxan Dimer. He I Photoelectron, Photoionization Mass Spectroscopy, Mid-Infrared, ab Initio StudiesTibor Pasinszki Nicholas P. C. WestwoodCite this: J. Phys. Chem. 1995, 99, 17, 6401–6409Publication Date (Print):April 1, 1995Publication History Published online1 May 2002Published inissue 1 April...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTCyanogen Di-N-oxide (ONCCNO): Gas Phase Generation and a HeI Photoelectron, Photoionization Mass Spectroscopy, Midinfrared, Ab Initio StudyTibor Pasinszki Nicholas P. C. WestwoodCite this: J. Am. Chem. Soc. 1995, 117, 32, 8425–8430Publication Date (Print):August 1, 1995Publication History Published online1 May 2002Published inissue 1 August 1995https://pubs.acs.org/doi/10.1021/ja00137a017https://doi.org/10.1021/ja00137a017research-articleACS...
The cyanogen N-oxide molecule NCCNO was recently identified for the first time in gas phase. In present work, NCCNO, generated from its stable ring dimer dicyanofuroxan by low-pressure thermolysis, is characterized HeI photoelectron, photoionization mass, ultraviolet, and infrared spectroscopies. From stop-flow revaporization experiments may be categorized as semistable, having a lifetime of few hours dilute ground state molecular geometry vibrational frequencies are explored with ab initio...
The unstable acetonitrile N-oxide molecule, CH3CNO, has been thermolytically generated in very high yield the gas phase from its stable ring dimer, dimethylfuroxan, and studied by ultraviolet photoelectron spectroscopy, photoionization mass mid-infrared spectroscopy. individual spectroscopies provide a detailed investigation into vibrational electronic character of are supported both conventional ab initio calculations density functional theory. ground-state structure is also investigated...
The parent furoxan (1,2,5-oxadiazole 2-oxide), synthesized from glyoxime and NO(2)(g), has been investigated in the gas phase for first time by mid-infrared He I photoelectron spectroscopy, liquid Raman spectroscopy. ground-state geometry obtained quantum-chemical calculations at B3LYP, MPn (n = 2-4), CISD, QCISD, CCSD, CCSD(T), RSPTn 2,3), MRCI, MR-AQCC levels using 6-311++G(2d,2p), cc-pVTZ, aug-cc-pVTZ, cc-pCVTZ, cc-pVQZ basis sets. Furoxan is predicted to be planar, with a strong...
The UV photolysis of dimethylcarbamoyl azide has been investigated in an argon matrix at cryogenic temperatures. products the were identified by infrared spectroscopy supported quantum-chemical calculations. Sequential formation dimethylamino isocyanate (Me2N-NCO), 1,1-dimethyldiazene (Me2N═N), and ethane was established. Therefore, major decomposition channel is as Me2NC(O)N3 → Me2N-NCO Me2N═N Me-Me, via consecutive N2, CO, N2 eliminations. Ground-state geometries, vibrational frequencies,...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTPenning Ionization of CH3CN and CH3NC by Collision with He(23S) Metastable AtomsTibor Pasinszki, Hideo Yamakado, Koichi OhnoCite this: J. Phys. Chem. 1995, 99, 40, 14678–14685Publication Date (Print):October 1, 1995Publication History Published online1 May 2002Published inissue 1 October 1995https://pubs.acs.org/doi/10.1021/j100040a015https://doi.org/10.1021/j100040a015research-articleACS PublicationsRequest reuse permissionsArticle...
The electronic structure and Penning ionization of NNO, HCNO, HNNN upon collision with He*(23S) metastable atoms were studied using He I photoelectron two-dimensional electron spectroscopies (2D-PIES). From the peak shifts in PIES energy dependence partial cross sections, interaction potentials between molecules deduced. In range, potential was found to be attractive around nitrile oxide (−CNO) azide (−NNN) groups, but no characteristic observed NNO He*(23S). Ab initio calculations on...
The unstable chloronitrile oxide molecule ClCNO has been generated from dichloroformaldoxime Cl2CNOH by low-pressure gas-phase thermolysis or a gas−solid reaction with HgO metals. is characterized in the gas phase mid-infrared and HeI photoelectron spectroscopy, ground-state geometry obtained ab initio calculations at B3-LYP, MPn (n = 2−4), QCISD, QCISD(T), CCSD, CCSD(T) levels using basis sets ranging 6-31G** through 6-311G(2d) to cc-pVTZ. calculated structure strongly dependent upon method...