Search
Filters
total: 691
Search results for: atom%20jednoelektronowy
-
Hydrogen migration in formation of NH(A3Π) radicals via superexcited states in photodissociation of isoxazole molecules
PublicationFormation of the excited NH(A 3Π) free radicals in the photodissociation of isoxazole (C3H3NO) molecules has been studied over the 14-22 eV energy range using photon-induced fluorescence spectroscopy. The NH(A 3Π) is produced through excitation of the isoxazole molecules into higher-lying superexcited states. Observation of the NH radical, which is not a structural unit of the isoxazole molecule, corroborates the hydrogen atom...
-
Calixthioamides as ionophores for transition and heavy-metal cations
PublicationThere is an increasing interest in applying p-tert-butylcalix[4]arenes as sensing materials in ion-selective electrodes(ISEs). Considerable efforts were made to design calixarenes that are selective for some heavy- or transitionmetal ions to be used in ISEs for controlling and monitoring the level of such pollutants in the environment. It has been reported that introduction of softer sulfur atoms instead of oxygen atoms in calix[4]arene...
-
Superconductivity in Metal-Rich Chalcogenide Ta2Se
PublicationThe metal–metal bond in metal-rich chalcogenide is known to exhibit various structures and interesting physical properties. Ta2Se can be obtained by both arc-melting and solid-state pellet methods. Ta2Se crystallizes a layered tetragonal structure with space group P4/nmm (No. 129; Pearson symbol tP6). Each unit cell consists of four layers of body-centered close-packing Ta atoms sandwiched between two square nets of Se atoms, forming...
-
Magnetic anisotropy and structural flexibility in the f ield-induced single ion magnets [Co{(OPPh2) (EPPh2)N}2], E = S, Se, explored by experimental and computational methods
PublicationDuring the last few years, a large number of mononuclear Co(II) complexes of various coordination geometries have been explored as potential single ion magnets (SIMs). In the work presented herein, the Co(II) S = 3/2 tetrahedral [Co{(OPPh2)(EPPh2)N}2], E = S, Se, complexes (abbreviated as CoO2E2), bearing chalcogenated mixed donor-atom imidodiphosphinato ligands, were studied by both experimental and computational techniques. Specifically,...
-
Wprowadzenie
Publication -
Wnioski do dalszych badań
Publication -
Wstęp do fizyki atomu i cząsteczki PG_00047937
e-Learning CoursesWstęp do fizyki atomu i cząsteczki PG_00047937 Strumień: FIZYKA MEDYCZNA (WETI), I stopnia - inżynierskie, stacjonarne, 2022/2023 - zimowy (obecnie sem. 5)
-
Studies on micellar aggregation of nonionic surfactants in imidazolium liquids
PublicationA number of imidazolium ionic liquids, with 2-8 carbon atoms in cation alkyl chains, and tetrafluoroborate, hexafluorophosphate, bis(trifluoromethylsulfony)imide and trifluoromethanesulfonate anions, were characterized for their ability to support micellar aggregation of nonionic surfactants in binary solutions.
-
Structural Factors Affecting Cytotoxic Activity of (E)-1-(Benzo[d ][1,3]oxathiol-6-yl)-3-phenylprop-2-en-1-one Derivatives
PublicationDerivatives of (E)-1-(5-alkoxybenzo[d][1,3]oxathiol-6-yl)-3-phenylprop-2-en-1-one (1) demonstrated exceptionally high in vitro cytotoxic activity, with IC50 values of the most active derivatives in the nanomolar range. To identify structural fragments necessary for the activity, several analogs deprived of selected fragments were prepared, and their cytotoxic activity was tested. It was found that the activity depends on combined effects...
-
The σ-phase superconductors Nb20.4Rh5.7Ge3.9 and Nb20.4Rh5.7Si3.9
PublicationWe show that the previously unreported ternary σ phases Nb20.4Rh5.7Ge3.9 and Nb20.4Rh5.7Si3.9 are both superconductors with Tc values of approximately 1.9 K. The superconducting transitions were characterized through temperature-dependent magnetic susceptibility, electrical resistance, and specific heat measurements. The Sommerfeld constants, γ, for Nb20.4Rh5.7Ge3.9 and Nb20.4Rh5.7Si3.9 are 89(1) mJ mol-f.u.−1K−2 and 86(1) mJ mol-f.u.−1K−2...
-
Self-assemblies of novel magnesium porphyrins mimicking natural chlorosomal bacteriochlorophylls
PublicationSelf-assembling porphyrins are promising materials to mimic natural bacteriochlorophylls c, d, or e encountered in the chlorosomes of photosynthetic bacteria. We have studied four novel magnesium porphyrins mimicking this chlorosomal antenna system. In contrast to previous articles reporting synthetic Zn-porphyrins, our studies focus on porphyrins with Mg as the central atom, which mimic more closely the natural bacteriochlorophylls....
-
Superconductivity of Ta-Hf and Ta-Zr alloys: Potential alloys for use in superconducting devices
PublicationThe electronic properties relevant to superconductivity are reported for bulk Ta-Hf and Ta-Zr body centered cubic alloys, in a large part to determine whether their properties are suitable for potential use in superconducting qbits. The body centered cubic unit cell sizes increase with increasing alloying. The results of magnetic susceptibility, electrical resistivity, and heat capacity characterization are reported. While elemental...
-
New potent STS inhibitors based on fluorinated 4-(1-phenyl-1H-[1,2,3]triazol-4-yl)-phenyl sulfamates
PublicationA series of fluorinated analogs based on the frameworks of 4-(1- phenyl-1H-[1,2,3]triazol-4-yl)-phenyl sulfamates have been synthesized as steroid sulfatase (STS) inhibitors. The design of chemical structures of new potential STS inhibitors was supported by molecular docking techniques to identify potential interactions between inhibitors and amino acid residues located in the STS active site. The STS inhibitory potency was evaluated...
-
Ion recognition properties of new pyridine-2,6-dicarboxamide bearing propeller-like pendant residues: multi-spectroscopic approach
PublicationThe synthesis and ion binding properties of new amide derived from propeller-like tris(2-pyridyl)amine and 2,6-pyridinedicarboxylic acid chloride were described. Amide binds divalent metal cations: copper(II), nickel(II), zinc(II), and lead(II) in acetonitrile. In acetonitrile:water mixture (9:1 v/v) amide interacts only with copper(II) and nickel(II) cations forming complexes of 1:1 stoichiometry. It was found that the introduction...
-
XPS measurements of the Fe-Pb-Si based glass
Open Research DataGlass samples with nominal compositions of xFe2O3-(50-x)PbO–50SiO2, where x = 12.5, 15, 17.5 (mol%) were prepared. Analytical grade substrates were used: Fe2O3, SiO2, and PbO. The appropriate amounts of reagents were mixed in an agate mortar. The powders obtained were melted in porcelain un-enamelled crucibles in an electric furnace at a temperature...
-
Fizyka atomu i cząsteczki II 2022/2023
e-Learning Courses -
Fizyka Atomu i Cząsteczki II 2023/2024
e-Learning Courses -
Synthesis and properties of HoT2Al20 (T = Ti, V, Cr) intermetallic cage compounds
PublicationPolycrystalline samples of HoT2Al20 (T = Ti, V, Cr) intermetallics were synthesized using a step-wise arc-melting technique. All three compounds adopt the CeCr2Al20-type crystal structure with Ho atoms positioned inside oversized icosahedral cages formed by Al atoms. The structure of HoV2Al20 compound is reported. The materials properties were studied by means of electrical resistivity, magnetic susceptibility, and specific heat...
-
Preparation and structure of nanocrystalline sol-gel derived Cu doped LiTi2O4 powders
PublicationAmong the spinel oxides materials, lithium titanate (Li1+xTi2-xO4 where 0 ≤ x ≤ 0.33) could be very interested from pratical applications point of view. Lithium titanate is a II type spinel oxide superconductor with relatively high (~13 K for x = 0) superconducting transition temperature Tc. Above Tc lithium titanate shows metallic behaviour and can be used e.g. as electrodes for rechargeable lithium-ion batteries. Since the discovery...
-
TOTAL CROSS SECTION MEASUREMENTS FOR ELECTRON SCATTERING ON METHYL FORMATE (HCOOCH3) MOLECULE: METHYLATION EFFECT
PublicationWe present the absolute total cross section (TCS) for electron scattering from the methyl formate (HCOOCH3) molecule measured in the 10-300 eV energy range, with electrostatic electron spectrometer working in the linear transmission mode. Comparison of TCS for the HCOOCH3 molecule with that measured earlier for the formic acid (HCOOH) compound manifests the methylation effect i.e. the response of the electron scattering dynamics...
-
Application of the 2-deoxyglucose scaffold as a new chiral probe for elucidation of the absolute configuration of secondary alcohols
PublicationHerein, we present the application of 2-deoxy-D-glucose derivatives as chiral probes for elucidation of the absolute configuration of chiral secondary alcohols. The probes are attached to the studied molecules via glycosylation reaction and the resulting products are examined by a set of standard 2D NMR experiments. The absolute configuration of an oxymethine carbon atom binding the probe is established on a basis of a set of diagnostic...
-
Rozdział 3.1.1. Przestrzenne formy ochrony przyrody. W: [Praca zbiorowa]Materiały do monografii przyrodniczej regionu gdańskiego. Gdańsk: Marpress **2002 s. 57-66, 4 tab. Tom 8 Diagnoza stanu i koncepcja ochrony środowiska przyrodniczo-kulturowe- go w województwie pomorskim. Diagnosis of natural-cultural environment´scondition and the idea of its protection in Pomeranian Voivodship. Red. A.Kostarczyk, M. Przewoźniak.
Publication...
-
Synthesis and structural characterization of new cyclic siloxane with functionalized organic substituents
PublicationOcta(2-pyridyloxy)cyclotetrasiloxane was isolated as the product of the reaction between silicon disulfide and 2-hydroxypyridine. The new compound has been characterised by single crystal X-ray analysis, revealing a planar eight-membered ring with functionalized organic substituents on the silicon atoms.
-
Bis(tetrahydrofuran-κO)tris(tri-tert-butoxysiloxy)chromium(III)
PublicationOtrzymano kompleksowy silanolan chromu: bis(tetrahydrofuran)tris(tri-tert-butoksysiloksy)chrom(III) i wyznaczono strukturę rentgenowską tego związku. Wielościan koordynacyjny atomu chromu ma kształt bipiramidy trygonalnej, w której cząsteczki tetrahydrofuranu zajmują pozycje osiowe.
-
The Ellenbogen's "Matter as Software" Concept for Quantum Computer Implementation: II Bonding Between the C60 and X@C60 Molecules as Available Molecular Building Blocks (MBBs) for Tip-Based Nanofabrication (TBN) of Quantum Computing Devices
PublicationThe binding energy, BE of the X@C60-X@C60 homodimer and the X@C60-Y@C60 heterodimer resulting from the bond formation between the occupied X@C60 MBB and the C60 molecule was studied by means of semiempirical PM7 calculations, where X and Y denote atoms from H to Bi, excluding Tc and lanthanides. All possible combinations of N = 68 guest atoms were considered, which resulted in K = 2346 of different calculated dimers of (X@C60-Y@C60)...
-
Electronic structure and magnetism of samarium and neodymium adatoms on free-standing graphene
PublicationThe electronic structure of selected rare-earth atoms adsorbed on a free-standing graphene was investigated using methods beyond the conventional density functional theory (DFT+U, DFT +HIA, and DFT+ED). The influence of the electron correlations and the spin-orbit coupling on the magnetic properties has been examined. The DFT+U method predicts both atoms to carry local magnetic moments (spin and orbital) contrary to a nonmagnetic...
-
Heteroleptic tri-tert-butoxysilanethiolate complexes of manganese(II) - thermal studies
PublicationThe thermal behavior of Mn(II) silanethiolate series [Mn(SR)2L(MeOH)n], where R=SSi(OBut)3, L=heterocyclic nitrogen base and n=0, 1 or 2 has been comparatively investigated using differential scanning calorimetry (DSC), thermogravimetry (TG) and TG-infrared spectoscopy (IR) techniques. The TG curves indicate the differences in the thermal decomposition due to presence of distinct N-donor ligands and labile MeOH molecules coordinated...
-
ortho-Fluorobenzanilides and ortho-fluorothiobenzanilides: Molecular conformations and crystal packing
PublicationSeries of 2-fluoro and 2,6-difluorobenzanilides and their thiobenzanilide analogs have been synthesized to investigate the influence of the fluorine atom on their crystal structures and self-assembly in the crystal lattice. The X-ray analysis of the single crystal revealed that the synthesized molecules adopt a geometry being deflected from planarity. The deflection was investigated by analysis of dihedral angles between mean planes...
-
Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?
PublicationThis article presents crystal structures of chalcogenadiazolecarboxylic acids bearing both a hydrogen and a chalcogen bond donor. The selected molecules varied in the size of the aromatic unit, the chalcogen atom and/or the position of the carboxyl group in the core structure. The most common synthons in their lattice are "R" _"2" ^"2" (8) self-complementary acid dimers or four-membered [Ch···N]2 rings. Supramolecular synthons...
-
Role of methylation in electron scattering on X(CH3)4 (X= C, Si, Ge) molecules (2)
PublicationTo investigate how replacement of H atom with methyl group (CH3) – in tetrahedral compounds of carbon, silicon and germanium – affects electron scattering process, total cross sections (TCS) for electron scattering from C(CH3)4, Si(CH3)4 and Ge(CH3)4 molecules have been compared with data for CH4, SiH4 and GeH4 molecules. All examined data have been obtained with the same experimental setup. The shape of all discussed TCS energy...
-
Crystal structure and physical properties of a novel ternary compound La15MoxGe9
PublicationWe present the synthesis, structural characterization and physical properties measurements of a new compound, La15MoxGe9 in Mn5Si3-type derived structure with interstitial Mo. The sample was synthesized by arc-melting method. La15MoxGe9 crystallizes in non-centrosymmetric hexagonal structure P63mc (#186) with lattice parameters a = b = 15.495(5) Å and c = 6.917(2) Å. The refinement on single X-ray diffraction data show that interstitial...
-
Computer study of the lead-germanium alloy formation in over-reduced lead-germanate glass
PublicationPraca poświęcona jest badaniom dynamiczno-molekularnym struktury zredukowanego szkła ołowiowo-germanianowego o składzie 1Pb 1Ge 1GeO2. Analizie poddano strukturę matrycy szkła, GeO2 i osadzonej w niej fazy metalicznej, którą formują neutralne atomy Pb i Ge.
-
Bromidotetrakis(2-ethyl-1H-imidazole-KN3)copper(II) bromide
PublicationThe CuII ion in the title complex, [CuBr(C5H8N2)4]Br, is coordinated in a square-pyramidal geometry by four N atoms of imidazole ligands and one bromide anion in the apical position. In the crystal, the ions are linked by a 3-D network of N-H---Br and CH---Br hydrogen bonds.
-
Rosyjskie piśmiennictwo naukowe z zakresu przekładoznawstwa. Rzecz o monografii bibliograficznej Ewy Konefał pt. Przekładoznawstwo rosyjskie. Tom 1: Autoreferaty dysertacji 1937–2015 (Wydawnictwo Uniwersytetu Gdańskiego, Gdańsk 2016) [Russian academic literature in the field of translation studies. About Eva Konefał’s bibliographic monograph Russian translation studies. Volume 1: Abstracts of dissertations 1937-2015 (Publishing house of Gdansk University, Gdansk 2016)]
Publication -
Rozdział 2.2.1. Strukturalizacja przyrodnicza obszaru województwa pomors-kiego. W: [Praca zbiorowa] Materiały do monografii przyrodniczej regionu gdańskiego. Gdańsk: Marpress**2002 s. 18-31, 1 rys. Tom 8 Diagnoza stanu i koncepcja ochrony środowiska przyrodniczo-kulturowe- go w województwie pomorskim. Diagnosis of natural-cultural environment´scondition and the idea of its protection in Pomeranian Voivodship. Red. A.Kostarczyk, M. Przewoźniak.
Publication...
-
Rozdział 2.1. Metoda zintegrowanej waloryzacji środowiska przyrodniczo-kul-turowego. W: [Praca zbiorowa] Materiały do monografii przyrodniczej regionu gdańskiego. Gdańsk: Marpress**2002 s. 16-18.Tom 8 Diagnoza stanu i koncepcja ochrony środowiska przyrodniczo-kulturowe- go w województwie pomorskim. Diagnosis of natural-cultural environment´scondition and the idea of its protection in Pomeranian Voivodship. Red. A.Kostarczyk, M. Przewoźniak.
Publication...
-
Problemy gospodarki przestrzennej. W: [Praca zbiorowa] Materiały do mono- grafii przyrodniczej regionu gdańskiego. Gdańsk: Marpress**2003 s. 200-216. Tom 9 Zaborski Park Krajobrazowy. Problemy trójochrony i współistnienia z Parkiem Narodowym ''Bory Tucholskie''. Zaborski Landscape Park. Problems of Landscape Park. Problems of the triprotection and coexistence with the ''Bo- ory Tucholskie'' National Park. Praca zbiorowa pod redakcją M. Przewoźniaka.
PublicationArtykuł zawiera omówienie takich zagadnien jak: struktura społeczno-gospo- darcza Parku, identyfikacja problemów gospodarki przestrzennej, strategicz- ne planistyczne i programowe uwarunkowania zagospodarowania przestrzennego. Na tej podstawie przeprowadzono rejonizację funkcjonalno-przestrzenną Parku i określono zasady jego zagospodarowania.
-
Zagadnienia sozologiczne. W: [Praca zbiorowa] Materiały do monografii przy- rodniczej regionu gdańskiego. Gdańsk: Marpress**2003, s. 182-199, 12 tab. Tom 9 Zaborski Park Krajobrazowy. Problemy trójochrony i współistnienia z Parkiem Narodowym ''Bory Tucholskie''. Zaborski Landscape Park. Problems of Landscape Park. Problems of the triprotection and coexistence with the''Bory Tucholskie'' National Park. Praca zbiorowa pod redakcją M. Przewożniaka.
PublicationArtykuł zawiera omówienie wszystkich istotnych problemów sozologicznych wys-tępujących w Zaborskim Parku Krajobrazowym, jak zanieczyszczenie powietrzaatmosferycznego, warunki akustyczne, zanieczyszczenie wód, przekształceniaobiegu wody i litosfery, gospodarka odpadami stałymi. Całość podsumowujesyntetyczna ocena stanu środowiska.
-
Electron impact iozization of CCl4 and SF6 embedded in superfluid helium droplets
PublicationElectron impact ionization of helium nano-droplets containing several 104 He atoms and doped with CCl4 or SF6 molecules is studied with high-mass resolution. The mass spectra show significant clustering of CCl4 molecules, less so for SF6 under our experimental conditions. Positive ion efficiency curves as a function of electron energy indicate complete immersion of the molecules inside the helium droplets in both cases. For CCl4...
-
Preparation and Characterization of Nanomaterial Consisting of Silica Aerogel & Carbon Tested as an Electrode in Non-Aqueous Media Containing Lithium Salt.
PublicationSilica aerogel (SiO2ag) was combined with carbonaceous material in the pyrolysis process of hydrocarbons. The obtained nanocomposite SiO2ag/C was amorphous, partially preserving the porous structure of SiO2ag. The specific surface area changes from 445.6 m2/g for pure SiO2ag to 205.52 m2/g SiO2ag/C. The 29Si MAS-NMR shows a three-dimensional matrix with silicon atoms connected to other silicon atoms by four...
-
Impact of the Alkyl Side Chains of Cations and Anions on the Activity and Renaturation of Lysozyme: A Systematic Study Performed Using Six Amino‐Acid‐Based Ionic Liquids
PublicationThe impact of the structure of ionic liquid on the activity and renaturation of lysozyme from the hen egg white (HEWL) was investigated. A set of six ionic liquids based on morpholinium cation and N-acylated amino acids as anions were exploited. The matrix used was based on two homologous series: one with N-acetyl-L-valinate [Val] as a common anion and morpholinium cation with a different number of carbon atoms in the n-alkyl chain...
-
Fizyka atomu i cząsteczki (semestr letni 2021/22)
e-Learning Courses -
Fizyka atomu i cząsteczki (semestr letni 2022/23)
e-Learning Courses -
Fizyka atomu i cząsteczki (semestr letni 2023/24)
e-Learning Courses -
Plants sources of vitamins against SARS-CoV-2
Publication -
Lithium tetrakis(tri-tert-butoxysilanethiolato)gallate(III). Acta Cryst.Sect. E Struct. Rep. [online]**2002 vol. 58 s. m728-m729, 1 rys. 1 tab. bibliogr. 13 poz. Tetrakis(tri-tert-butoksysilanotiolano)gallan(III) litu.
PublicationPraca opisuje syntezę oraz strukturę krystaliczną i cząsteczkową tetrakis(tri-tert-butoksysilanotiolano)gallanu(III) litu. Kation litu jest koordynowany wewnątrz cząsteczki przez dwa atomy tlenu z dwóch grup tert-butoksylo-wych. Strukturę wyznaczono stosując rentgenowską analizę strukturalną mono-kryształu.
-
Core-Shell Nanoparticles with Hyperbranched Poly(arylene-oxindole) Interiors
PublicationCore-shell type star polymers composed of poly(tert-butyl acrylate) (poly(t-BuA)) arms and 100% hyperbranched poly(arylene-oxindole) interiors were synthesized via the "core-first" method. Atom transfer radical polymerization of t-BuA initiated by 2-bromopropionyl terminal groups of the hyperbranched core was applied for the synthesis of the stars. The resultant star structures were characterized by gel permeation chromatography...
-
Nickel(II) tri-tert-butoxysilanethiolates with N-heterocyclic bases as additional ligands: Synthesis, molecular structure and spectral studies
PublicationW publikacji przedstawiono metodę syntezy trzech kompleksów silanotiolanowych z takimi N-heterocyklicznymi zasadami jak: pirydyna, 2-metylopirydyna i 3,5-dimetylopirydyna. Dla tych kompleksów przeprowadzono badania X-Ray, analizy elementarnej. Przy pomocy rentgenowskiej analizy strukturalnej wykazano różną koordynację atomu centralnego - niklu.
-
Electron collisions with tetrafluoroethylene (C2F4) and ethylene (C2H4) molecules.
PublicationStosując liniową metodę transmisyjną zmierzono całkowite przekroje czynne(TCS) na zderzenie elektronów z drobinami C2F4 w zakresie energii 0.6-370eV.Stwierdzono obecność szerokiego maksimum przy ok. 30eV. Dla porównania zmierzono TCS dla C2H4. Przedyskutowano wpływ podstawienia atomu fluoru w miejsce wodoru.
-
Minimal parameter implicit solvent model for ab initioelectronic-structure calculations
PublicationAbstract - We present an implicit solvent model for ab initio electronic-structure calculations which is fully self-consistent and is based on direct solution of the nonhomogeneous Poisson equation. The solute cavity is naturally defined in terms of an isosurface of the electronic density according to the formula of Fattebert and Gygi (J. Comput. Chem., 23 (2002) 662). While this model depends on only two parameters, we demonstrate...