Search results for: Jozef Lipinski

Items from 1 to 13 out of 13 results

article

On the reliability of determination of energies of HOMO and LUMO levels in organic semiconductors from electrochemical measurements. A simple picture based on the electrostatic model

Juliusz Sworakowski, Józef Lipiński, Krzysztof Janus

Organic Electronics > 2016 > 33 > C > 300-310

Relations between energies of ionized levels (HOMO and LUMO levels) obtained from photoelectron spectroscopy (UPS and IPES) of molecular solids, and oxidation (reduction) potentials of respective molecules dissolved in non-aqueous solvents are re-examined. Several classes of molecules are taken into account: polycyclic aromatic hydrocarbons, fullerenes, aromatic amines and anhydrides, sulfur- and...

article

Low temperature emission spectra of optically nonlinear N-benzyl-2-methyl-4-nitroaniline crystal

Katarzyna Piela, Bolesław Kozankiewicz, Józef Lipiński, M. Magdalena Szostak

Chemical Physics > 2012 > 404 > Complete > 28-32

The fluorescence and phosphorescence spectra of N-benzyl-2-methyl-4-nitroaniline (BNA) orthorhombic crystal were measured between 5 and 200K. The fluorescence spectrum of BNA in a Shpol’skii matrix of n-heptane was also recorded at 5K. The electronic absorption spectra parameters such as singlet and triplet state energies, dipole moments and oscillator strengths were calculated by semi-empirical and...

article

Molecular aggregation in soluble phthalocyanines – Chemical interactions vs. π-stacking

Krystyna Palewska, Juliusz Sworakowski, Józef Lipiński

Optical Materials > 2012 > 34 > 10 > 1717-1724

Aggregation of soluble sulfonated phthalocyanines (Pcs) containing di- and trivalent central atoms in binary water-alcohol solvents has been studied. The equilibrium constants of dimerization in solutions of Pcs with divalent central atoms (Zn, Cu) were found dependent on the electrical permittivity of the solvent and on the degree of sulfonation (i.e., on the charge on the phthalocyanine anions)...

article

Single- and Two-Photon Excited Fluorescence in Organic Nonlinear Optical Single Crystal 3-(1,1-Dicyanoethenyl)-1-phenyl-4,5-dihydro-1 H -pyrazole

Andrzej Miniewicz, Krystyna Palewska, Lech Sznitko, Jozef Lipinski

The Journal of Physical Chemistry A > 2011 > 115 > 39 > 10689 - 10697

article

Effect of electric permittivity of the solvent on aggregation process of the water-soluble sulfonated metal phthalocyanines

Krystyna Palewska, Juliusz Sworakowski, Józef Lipiński, Stanislav Nešpůrek

Journal of Photochemistry & Photobiology, A: Chemistry > 2011 > 223 > 2-3 > 149-156

Dimerization of sulfonated phthalocyanines of divalent metals (Zn, Cu, and Co) in binary water-alcohol solutions was studied by spectroscopic techniques. The dimerization manifests itself in changes in the absorption spectra and in a decrease of fluorescence intensity. The equilibrium constants of dimerization depend on the electric permittivity of the solvent and on degree of sulfonation. The process...

article

Fukui functions for atoms and ions: Polarizability justified approach

Paweł Szarek, Ludwik Komorowski, Józef Lipiński

International Journal of Quantum Chemistry > 110 > 12 > 2315 - 2319

Recently proposed Fukui function has been tested for a collection of atoms and atomic ions. The key point of the analysis is an approximation for the softness kernel, as an extended and parameterized version of the local approximation s(r,r′) = s(r)δ(r − r′). The new Fukui functions lead to exact reproduction of global electronic dipole polarizability and atomic softness. The global hardness calculated...

article

Conformational changes of l-phenylalanine – Near infrared-induced mechanism of dimerization: B3LYP studies

Sylwia Olsztynska-Janus, Katarzyna Szymborska, Malgorzata Komorowska, Jozef Lipinski

Journal of Molecular Structure: THEOCHEM > 2009 > 911 > 1-3 > 1-7

Structures of l-phenylalanine (phe) conformers were subjected to geometry optimization. Conformers of phe were optimized at the B3LYP and MP2 levels using the Gaussian 03 package. The relative energies, free energies and dipole moments of these conformers were subsequently calculated. The aggregation process of phe molecule has been also studied with B3LYP calculations using 6-31G* basis set. We suggest...

article

Spectroscopic and kinetic study

Krystyna Palewska, Marta Sujka, Barbara Urasińska-Wójcik, Juliusz Sworakowski, more

Journal of Photochemistry & Photobiology, A: Chemistry > 2008 > 197 > 1 > 1-12

Sodium salts of sulfonated hydroxyaluminum phthalocyanines [Al(OH)Pc(SO ₃ Na) _i ] containing various numbers of sulfonate groups (i=1–4), were studied by spectroscopic techniques. The lifetimes of the singlet states were found to range between 5 and 8ns, experimentally determined fluorescence quantum yields ranging between 0.45 and 0.74. Both parameters depend on the number of sulfonate...

article

Low-temperature photoluminescence of p-nitroaniline and o-methyl-p-nitroaniline crystals

M. Magdalena Szostak, Bolesław Kozankiewicz, Józef Lipiński

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy > 2007 > 67 > 5 > 1412-1416

Photoemission spectra of para-nitroaniline (p-NA) and ortho-methyl-para-nitroaniline (MNA) single crystals measured between 5 and 250K revealed that the MNA crystals emit phosphorescence and fluorescence in contrast with the p-NA crystals which have only fluorescence. It is assumed that the fluorescence of p-NA crystals at 5K originates from the doublet state of negatively charged polarons while the...

article

Sum rules for nonlinear optical properties of molecules

Józef Lipiński

Chemical Physics Letters > 2004 > 394 > 4-6 > 397-399

It is explicitly shown, that calculated sum over all states of the nonlinear optical properties (NLO) of molecular system (polarizability, hyperpolarizability, etc.) is exactly zero when wave functions which satisfy the Hellmann–Feynman theorem is used. These sum rules are correct for sum over energy levels (i.e., translation, rotation, oscillation and electronic) in case of any one-electron properties...

article

Effect of Solute−Solvent Compatibility on Total Luminescence Spectra of Perylene in Shpol'skii Matrixes at Liquid Helium Temperature

Krystyna Palewska, Józef Lipiński, Tomasz Misiaszek, Juliusz Sworakowski

The Journal of Physical Chemistry A > 2002 > 106 > 18 > 4552 - 4557

article

Solvent effect on the nonlinear optical properties of para-nitroaniline studied by Langevin dipoles–Monte Carlo (LD/MC) approach

Wojciech Bartkowiak, Józef Lipiński

Computers and Chemistry > 1998 > 22 > 1 > 31-37

Polarizabilities and hyperpolarizabilities and their frequency dispersions are calculated for para-nitroaniline in the water solvent using Langevin dipoles–Monte Carlo (LD/MC) approach. The sum-over-states formalism is used to calculate individual components of linear and nonlinear polarizability tensors for para-nitroaniline. The calculated values of hyperpolarizability including the solvent effect...

article

The solvent effect on the electronegativity and hardness of bonded atoms

Józef Lipiński, Ludwik Komorowski

Chemical Physics Letters > 1996 > 262 > 3-4 > 449-454

The role of solvent interactions in modifying the electronegativity (χ) and hardness (η) of bonded atoms has been studied. The simple virtual charge model of a homogeneous polar medium was chosen for the description of the solvent properties. Molecular χ and η indices show minor dependences on the solvent polarity. The hardness of ions decreases with increasing solvent polarity whereas the electronegativity...

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Keywords

DIMERIZATION (3)
ABSORPTION SPECTRA (2)
DIELECTRIC CONSTANT (2)
EMISSION SPECTRA (2)
ABSORPTION (1)
AGGREGATION (1)
ALUMINUM PHTHALOCYANINE (1)
CHEMICAL HARDNESS (1)
CONFORMATIONAL STRUCTURE (1)
DFT (1)
DIMER (1)
ELECTRIC PERMITTIVITY (1)
ELECTRON AFFINITY (1)
ELECTRONIC SPECTRA (1)
FLUORESCENCE (1)
FUKUI FUNCTIONS (1)
GEOMETRY OF EXCITED STATES (1)
HOMO LEVEL (1)
IONIZATION ENERGY (1)
L-PHENYLALANINE (1)
LOW-TEMPERATURE PHOTOEMISSION (1)
LUMO LEVEL (1)
M-NITROANILINE (1)
METAL PHTHALOCYANINES (1)
MOLECULAR CRYSTALS (1)
NITRO GROUP MOTIONS (1)
O-METHYL-P-NITROANILINE (MNA) (1)
ORGANIC SEMICONDUCTOR (1)
P-NITROANILINE (1)
PHOSPHORESCENCE (1)
PHOTODYNAMIC THERAPY (1)
PLANARITY (1)
POLARONS (1)
SEMIEMPIRICAL CALCULATIONS OF ELECTRONIC TRANSITIONS AND MOLECULAR DIPOLE MOMENTS (1)
SHALLOW TRAPS (1)
SHPOL’SKII MATRIX (1)
SOFTNESS KERNEL (1)
SOLVENT EFFECT (1)
STOKES SHIFTS (1)
TD DFT METHOD (1)
TRAP STATES (1)
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Elsevier (10)
ACS (2)
Wiley (1)

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