A5059344040- Advanced Chemical Physics Studies
- X-ray Diffraction in Crystallography
- Photochemistry and Electron Transfer Studies
- Crystallization and Solubility Studies
- Molecular Spectroscopy and Structure
- Spectroscopy and Laser Applications
- Spectroscopy and Quantum Chemical Studies
- Atmospheric Ozone and Climate
- Molecular spectroscopy and chirality
- Molecular Sensors and Ion Detection
- Atomic and Molecular Physics
- Quantum, superfluid, helium dynamics
- Graphene research and applications
- Molecular Junctions and Nanostructures
- Synthesis and Biological Evaluation
- Advanced oxidation water treatment
- Chemical Reactions and Isotopes
- 2D Materials and Applications
- Cold Atom Physics and Bose-Einstein Condensates
- Chemical Reactions and Mechanisms
- TiO2 Photocatalysis and Solar Cells
- Carbon Nanotubes in Composites
- Photochromic and Fluorescence Chemistry
- Luminescence and Fluorescent Materials
- Lanthanide and Transition Metal Complexes
Institute of Physics
2008-2024
Rzeszów University
2013-2024
Institute of Spectroscopy
2016
Jagiellonian University
1999-2009
University of Basel
2004-2005
The photophysical and sensory properties of the donor–acceptor pyrazoloquinoline derivative (PQPc) were investigated using absorption, steady-state, time-resolved fluorescence measurements. compound synthesized from commercial, readily available substrates exhibited absorptions in UV–Vis range, with a maximum longwave band around 390 nm. was 460–480 nm, depending on solvent. quantum yield between 12.87% (for n-hexane) 0.75% acetonitrile) decreased increasing solvent polarity. PET mechanism...
In the emission spectrum of six 12C16O, 13C16O, 12C18O, 14C16O, 13C18O and 14C18O isotopologues carbon monoxide molecule, new recordings analyses or reanalyses selected strongest bands belonging to Ångström (B1Σ+ − A1Π) system were carried out. Under high resolution, spectra 0–1 1–1 recorded reanalysed, representing both 0 v'' 1 progressions this system. Unobserved so far, spectral lines identified, for 14C16O molecules parameters rovibronic structure B0, B1, D0 D1 v = levels B1Σ+ state band...
A novel fluorescent dye bis-(pyridin-2-yl-methyl)-(1,3,4-triphenyl-1H-pyrazolo[3,4-b]quinolin-6-ylmethyl)-amine (P1) has been synthesized and investigated by means of steady state time-resolved fluorescence techniques. This compound acts as sensor for detection small inorganic cations (lithium, sodium, barium, magnesium, calcium, zinc) in highly polar solvents such acetonitrile. The mechanism which allows application this is an electron transfer from the electron-donative part molecule...
The reduced <italic>T</italic>(<italic>J</italic>) − <italic>B</italic><sub>A</sub><italic>J</italic>(<italic>J</italic> + 1) <italic>D</italic><sub>A</sub><italic>J</italic><sup>2</sup>(<italic>J</italic> 1)<sup>2</sup> term values for the <sup>12</sup>C<sup>17</sup>O A<sub>1</sub>Π (<italic>υ</italic> = 5) level and hypothetical unperturbed crossing rovibronic levels of perturbers.
Geometry and vibrational modes of the anthranilic acid molecule in S0 S1 states were computed using ab initio methods: Hartree–Fock (HF) configuration interaction singly excited configurations (CIS) as well density functional theory with time-dependent perturbation (TD-DFT). The intensity distribution laser-induced fluorescence excitation spectra was modeled two ways: displacement parameters for independent multidimensional Franck–Condon integrals. change molecular geometry upon calculated...
The S0 → S1(π π*) excitation in o-aminobenzoic acid causes strengthening of the N–H···O intramolecular hydrogen bond. interplay bond shortening, atom dislocation along bond, and skeletal relaxation is investigated. These effects often cause appearance dual fluorescence from π-conjugated internally H-bonded molecules, which traditionally interpreted as evidence excited-state proton transfer process: ESPIT. Hence, their quantitative modeling an important but demanding task for computational...
The harmonic approximation fails for inversion of the NH2 group in ground state aromatic amines as this vibration is characterized by a symmetric double-well potential with relatively small energy barrier. In such cases, standard vibrational analysis inapplicable: frequency calculated bottom well strongly overestimated, while it attains imaginary values planar conformation molecule. model calculations are discussed taking explicitly into account presence potential. study initially focused on...
LIF excitation spectra of 2-cyanoaniline (2-CA) and 3-cyanoaniline (3-CA) in their hydrogen (–NH2) deuterium (–ND2) forms are presented discussed. Analyses harmonic motions for the three mono cyanoanilines presented, using results ab initio (HF/6-31++G** CIS/6-31++G**) quantum mechanical calculations ground excited electronic states, as well IR Raman frequencies. Previous assignments compared with calculations. Potential energy changes upon excitation, to lowest singlet state, interpreted...
New laboratory data are presented for the previously reported molecular absorption band at 4429 Å observed in a benzene plasma matching strongest diffuse interstellar (DIB) 4428.9 Å. Gas-phase spectra rotational temperatures of ~15 and 200 K. The observations indicate that it is unlikely DIB related. Eleven isomers C5H5(+) C6H5(+), both neutral cationic, were considered as possible carriers view profiles deuterium isotope shifts. experimental theoretical calculations (CASPT3, MRCI)...
Electronic absorption spectra of C3Cl, C3Cl+, C3Cl-, C4Cl, and C4Cl+ have been recorded in 6 K neon matrices following mass selection. Ab initio calculations were performed (CCSD(T) CASSCF) to identify the ground accessible excited states each molecule. The estimated excitation energies transition moments aid assignment. absorptions observed for C3Cl are 5(2)A' <-- X(2)A' 3(2)A'' transitions bent isomer (2)A1 X(2)B2 cyclic form UV (336.1 nm), visible (428.7 near-IR (1047 nm) regions,...
Phenol and 2,6-dibromo-4-methylphenol (DBMP) were removed from aqueous solutions by ozonolysis photocatalysis. The properties structural features of the catalysts organic compounds are discussed, as well their influence on degradation reaction rates. efficiency in photocatalytic processes was higher for DBMP (98%) than phenol (approximately 50%). This proves high magnetite halogenated aromatic pollutants. particularly regarding halogen-containing molecules yield bromide ions indicate that...
The 2Bg–X2Au transition of a nonlinear carbon chain trans-C6H4+, and trans-C6D4+, has been observed in the gas phase. spectra were detected 580 nm region by direct absorption with cavity ringdown technique through supersonic planar discharge. Though rotational structure is not resolved, band profiles analyzed using "total spectral fitting" procedure ground-state constants calculated CASSCF CASPT2 methods. molecular upper state could thus be determined.