Search results for: Joanna Hetmańczyk

Items from 1 to 20 out of 27 results

article

Model phospholipid interaction with cholesterol and melatonin: Raman spectroscopy and density functional theory study

Siarhei Zavatski, Hanna Bandarenka, Łukasz Hetmańczyk, Joanna Hetmańczyk, more

Journal of Raman Spectroscopy > 53 > 9 > 1540 - 1550

We present a Raman spectroscopy and quantum chemical computational study for model phospholipid membrane molecule dipalmitoylphosphatidylcholine (DPPC) mixed with cholesterol or melatonin at various concentrations. Utilizing a confocal Raman microspectroscopy setup, we capture a DPPC conformation state by evaluating the number of trans/gauche bonds using I₁₀₆₄/I₁₀₉₀ and I₁₁₂₈/I₁₀₉₀ vibrational mode...

article

Dynamics of H₂O ligands and ReO₄⁻ anions at the phase transition in [Mn(H₂O)₂](ReO₄)₂ studied by complementary spectroscopic methods

Joanna Hetmańczyk, Łukasz Hetmańczyk

Journal of Raman Spectroscopy > 49 > 2 > 298 - 311

The vibrational and reorientational motions of H₂O ligands and

{ReO}_{4}^{-}

anions in high‐ and low‐temperature phases were investigated by means of Fourier transform far‐ and mid‐infrared and Raman light‐scattering spectroscopy and neutron scattering (inelastic/quasi‐elastic incoherent neutron scattering) methods. The dynamics of H₂O and

{ReO}_{4}^{-}

molecules in high‐ (I) and low‐temperature (II) phases was...

article

Crystal structure, phase transitions and vibrations of H₂O molecules in [Ca(H₂O)₂](ReO₄)₂

Joanna Hetmańczyk, Łukasz Hetmańczyk, Wojciech Nitek

Journal of Thermal Analysis and Calorimetry > 2018 > 131 > 1 > 479-489

One reversible phase transition at $$T_{\text{c}}^{{\text{h}}}$$ T c h = 261.2 K (upon heating) was observed for [Ca(H₂O)₂](ReO₄)₂ in the 120–300 K range. Thermal hysteresis of the phase transition temperature T_C of ca. 30 K and heat flow anomaly sharpness suggest that the detected phase transition is of a first-order type. The entropy change value (ΔS ≈ 1.6 ± 0.08 J mol⁻¹ K⁻¹), associated...

article

Dynamics of NH3 ligands and ClO4− anions in the phase transition in [Cd(NH3)6](ClO4)2 studied by x-ray powder diffraction, neutron scattering methods and infrared spectroscopy

Łukasz Hetmańczyk, Joanna Hetmańczyk

Journal of Physics and Chemistry of Solids > 2017 > 101 > C > 34-44

Phase transition, reorientational dynamics of NH₃ ligands and ClO₄⁻ anions and crystal structure changes were investigated using x-ray powder diffraction (XRPD), neutron powder diffraction (NPD), quasi-elastic neutron scattering (QENS) and Fourier transform infrared spectroscopy (FT-IR). Most measurements were carried out in the temperature range 9–300K. The diffraction techniques revealed that NH...

article

Phase transition and dynamics of NH3 ligands in [Zn(NH3)4](ReO4)2

Łukasz Hetmańczyk, Joanna Hetmańczyk

Vibrational Spectroscopy > 2016 > 86 > C > 40-49

One phase transition in [Zn(NH₃)₄](ReO₄)₂ at T_c=393.5K (on heating) and 392.0K (on cooling) was found. Thermal stability of this compound was investigated by thermal analysis methods. It decomposes in three main stages. The first two are connected with deamination process, whereas Re₂O₇ evaporates in the last step. The activation energy for NH₃ loss processes was determined from thermogravimetric...

article

Phase transition, thermal dissociation and dynamics of NH3 ligands in [Cd(NH3)4](ReO4)2

Łukasz Hetmańczyk, Joanna Hetmańczyk

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy > 2016 > 164 > C > 24-32

High temperature phase transition in [Cd(NH₃)₄](ReO₄)₂ at T_c=368.5K (on heating) was reported for the first time. Thermal stability was investigated by thermal analysis methods. The titled compound decomposes in three main stages. The first two are connected with deamination process whereas in the last step Re₂O₇ evaporates. The activation energy for NH₃ lost processes was estimated from TG measurements...

article

Vibrational and reorientational dynamics, crystal structure and solid–solid phase transition studies in [Ca(H₂O)₆]Cl₂ supported by theoretical (DFT) calculations

Joanna Hetmańczyk, Łukasz Hetmańczyk, Anna Migdał‐Mikuli, Edward Mikuli

Journal of Raman Spectroscopy > 47 > 5 > 591 - 601

[Ca(H₂O)₆]Cl₂ between 93 and 300 K possesses two solid phases. One phase transition (PT) of the first‐order type at

T_{C}^{h}

= 218.0 K (on heating) and

T_{C}^{c}

= 208.0 K (on cooling) was determined by differential scanning calorimetry. Thermal hysteresis of this PT (10 K), as well as the heat flow anomaly sharpness, suggests that the detected PT is a first‐order one. The entropy change value [ΔS ≈ 8.5 J...

article

Low-temperature phase transition in [Cd(OS(CH3)2)6](ClO4)2 studied by inelastic and elastic neutron scattering, Raman light scattering, and infrared absorption spectroscopy

Elżbieta Szostak, Joanna Hetmańczyk, Anna Migdał-Mikuli

Vibrational Spectroscopy > 2016 > 84 > C > 83-91

The vibrational and reorientational dynamics of CH₃ groups from (CH₃)₂SO ligands in the high- and low-temperature phases of [Cd(OS(CH₃)₂)₆](ClO₄)₂ were investigated by Fourier transform infrared (FT-IR) and Raman (FT-Raman) spectroscopy, and quasielastic and inelastic incoherent neutron scattering (QENS and IINS) methods. The results show that in the high temperature phases the CH₃ groups and ClO₄...

article

Phase transition and NH3 dynamics in [Ni(NH3)4](ReO4)2 studied by infrared absorption, X-ray powder diffraction and neutron scattering methods

Łukasz Hetmańczyk, Joanna Hetmańczyk

Chemical Physics > 2016 > 469-470 > C > 9-15

The phase transition in [Ni(NH₃)₄](ReO₄)₂ detected previously by differential scanning calorimetry (DSC) at Tch=188K was now investigated by infrared absorption (FT-IR), incoherent inelastic and elastic neutron scattering (IINS, ND), and X-ray powder diffraction (XRPD) methods. The reorientational dynamics of NH₃ groups was investigated by infrared band shape analysis (IRBS) and quasielastic neutron...

article

Inelastic and elastic neutron scattering studies of the vibrational and reorientational dynamics, crystal structure and solid–solid phase transition in [Mn(OS(CH3)2)6](ClO4)2 supported by theoretical (DFT) calculations

Elżbieta Szostak, Joanna Hetmańczyk, Anna Migdał-Mikuli

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy > 2015 > 145 > Complete > 368-375

The vibrational and reorientational dynamics of CH ₃ groups from (CH ₃ ) ₂ SO ligands in the high- and low-temperature phases of [Mn(OS(CH ₃ ) ₂ ) ₆ ](ClO ₄ ) ₂ were investigated by quasielastic and inelastic incoherent neutron scattering (QENS and IINS) methods. The results show that above the phase transition temperature (detected earlier...

article

Vibrations and reorientations of NH3 molecules in [Mn(NH3)6](ClO4)2 studied by infrared spectroscopy and theoretical (DFT) calculations

Joanna Hetmańczyk, Łukasz Hetmańczyk, Anna Migdał-Mikuli, Edward Mikuli

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy > 2015 > 136 > Part C > 1515-1522

The vibrational and reorientational motions of NH ₃ ligands and ClO ₄ ⁻ anions were investigated by Fourier transform middle-infrared spectroscopy (FT-IR) in the high- and low-temperature phases of [Mn(NH ₃ ) ₆ ](ClO ₄ ) ₂ . The temperature dependencies of full width at half maximum (FWHM) of the infrared bands at: 591 and 3385cm ⁻¹ , associated...

article

Comparison of vibrational dynamics, thermal behaviour, and phase transition in [Ni(NH₃)₄](ReO₄)₂ and [Ni(NH₃)₆](ReO₄)₂

Łukasz Hetmańczyk, Joanna Hetmańczyk

Journal of Thermal Analysis and Calorimetry > 2015 > 119 > 2 > 1415-1428

The differences between thermal and vibrational properties of [Ni(NH₃)₄](ReO₄)₂ and [Ni(NH₃)₆](ReO₄)₂ are reported. The differential scanning calorimetry revealed that tetraamminenickel(II) perrhenate exhibits, in the temperature range of 300–140 K, one phase transition at ca. T _c ^h = 188 K (on heating) and T _c ^c = 185 K (on cooling). In the case of hexaamminenickel(II) perrhenate, no phase transition...

article

Vibrations and reorientations of H2O molecules in [Sr(H2O)6]Cl2 studied by Raman light scattering, incoherent inelastic neutron scattering and proton magnetic resonance

Joanna Hetmańczyk, Łukasz Hetmańczyk, Anna Migdał-Mikuli, Edward Mikuli, more

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy > 2014 > 124 > Complete > 429-440

Vibrational–reorientational dynamics of H ₂ O ligands in the high- and low-temperature phases of [Sr(H ₂ O) ₆ ]Cl ₂ was investigated by Raman Spectroscopy (RS), proton magnetic resonance ( ¹ H NMR), quasielastic and inelastic incoherent Neutron Scattering (QENS and IINS) methods. Neutron powder diffraction (NPD) measurements, performed simultaneously with QENS,...

article

Thermal properties of polycrystalline [Mn(NH₃)₆](ClO₄)₂

Joanna Hetmańczyk, Łukasz Hetmańczyk, Anna Migdał-Mikuli, Edward Mikuli

Journal of Thermal Analysis and Calorimetry > 2014 > 118 > 2 > 1049-1056

The X-ray powder diffraction (XRPD) pattern of [Mn(NH₃)₆](ClO₄)₂ at room temperature can be indexed in the regular (cubic) system (Fm $$ \overline{3} $$ 3 ¯ m space group) with lattice cell parameter a = 11.5729 Å and with four molecules per unit cell. The XRPD pattern at 100 K is evidently different, and it indicates lowering of the crystal structure. One phase transition at $$ T_{\text{C}1}^{\text{h}}...

article

Crystal structure of two [Ba(H2O)3](ClO4)2 phases and H2O ligands reorientational motions studied by X-ray single crystal, inelastic and quasielastic incoherent neutron scattering and proton magnetic resonance

Łukasz Hetmańczyk, Joanna Hetmańczyk, Edward Mikuli, Anna Migdał-Mikuli, more

Journal of Physics and Chemistry of Solids > 2013 > 74 > 12 > 1775-1782

XRSCD and NPD measurements indicated that the crystal space group (P6 ₃ /m) is the same for high and low temperature phases. IINS spectra calculated by the DFT method are in a good agreement with the experimental data. The QENS peaks, registered at 225 and 175K, (above and below the phase transition at TCh=211.3K, respectively) do not show any broadening, what implies that the corresponding...

article

Vibrational and reorientational motions of H2O ligands, phase transition and thermal properties of [Sr(H2O)6]Cl2

Joanna Hetmańczyk, Łukasz Hetmańczyk, Anna Migdał-Mikuli, Edward Mikuli

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy > 2013 > 115 > C > 504-510

One phase transition (PT) at TCh=252.9K (on heating) and at TCc=226.5K (on cooling) was detected by DSC for [Sr(H₂O)₆]Cl₂ in 123–295K range. Thermal hysteresis of this PT equals to 26.4K. Entropy change (ΔS) value at this first-order type phase transition equals to ca. 1.5Jmol⁻¹K⁻¹. The temperature dependences of the full width at half maximum (FWHM) values of the infrared bands associated with ρ_t...

article

Phase transitions in [Co(NH3)6](ClO4)3 investigated by neutron scattering methods

Łukasz Hetmańczyk, Natalia Górska, Joanna Hetmańczyk, Edward Mikuli, more

Chemical Physics > 2013 > 412 > Complete > 1-6

[Co(NH ₃ ) ₆ ](ClO ₄ ) ₃ was investigated by neutron scattering methods in the temperature range of 20–290K. Neutron powder diffraction revealed that the crystal structure does not change at the T _C2 and T _C3 phase transitions. High temperature phases are orientationally disordered. QENS study showed that NH ₃ ligands perform rapid reorientational...

article

Raman light scattering, infrared absorption and DSC studies of the phase transition and vibrational and reorientational dynamics of H₂O ligands and ClO₄^– anions in [Ba(H₂O)₃](ClO₄)₂

Joanna Hetmańczyk, Łukasz Hetmańczyk, Anna Migdał‐Mikuli, Edward Mikuli, more

Journal of Raman Spectroscopy > 43 > 8 > 1118 - 1125

[Ba(H₂O)₃](ClO₄)₂ between 90 and 300 K possesses two solid phases. One phase transition of the first‐order type at:

T_{C}^{h}

= 211.3 K (on heating) and

T_{C}^{c}

= 204.6 K (on cooling) was determined by differential scanning calorimetry. The entropy change value (ΔS ≈ 15 Jmol^–1 K^–1), associated with the observed phase transition, indicates a moderate degree of molecular dynamical disorder. Both, vibrational...

article

Phase transition in [Ca(NH3)6](ClO4)2 studied by neutron scattering methods and far infrared spectroscopy

Joanna Hetmańczyk, Łukasz Hetmańczyk, Anna Migdał-Mikuli, Edward Mikuli, more

Journal of Alloys and Compounds > 2011 > 509 > 23 > 6545-6550

The results of inelastic and quasi-elastic incoherent neutron scattering with simultaneous neutron powder diffraction and of Fourier transform far infrared spectroscopy measurements carried out for [Ca(NH ₃ ) ₆ ](ClO ₄ ) ₂ between 20–220K and 8.5–295K, respectively, are reported. The far infrared spectrum on cooling the substance indicates splitting of some degenerated...

article

Thermal properties, phase transitions, vibrational and reorientational dynamics of [Mn(NH₃)₆](NO₃)₂

Edward Mikuli, Marta Liszka-Skoczylas, Joanna Hetmańczyk, Janusz Szklarzewicz

Journal of Thermal Analysis and Calorimetry > 2010 > 102 > 3 > 889-897

[Mn(NH₃)₆](NO₃)₂ crystallizes in the cubic, fluorite (C1) type crystal lattice structure (Fm $$ \overline{3} $$ m) with a = 11.0056 Å and Z = 4. Two phase transitions of the first-order type were detected. The first registered on DSC curves as a large anomaly at T _C1 ^h = 207.8 K and T _C1 ^c = 207.2 K, and the second registered as a smaller anomaly at T _C2 ^h = 184.4 K and T _C2 ^c = 160.8 K...

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Keywords

PHASE TRANSITION (9)
PHASE TRANSITIONS (7)
DSC (6)
MOLECULAR REORIENTATIONS (5)
INELASTIC AND QUASIELASTIC INCOHERENT NEUTRON SCATTERING (IINS AND QENS) (4)
NEUTRON SCATTERING METHODS (4)
DENSITY FUNCTIONAL THEORY (DFT) (3)
FT-IR (3)
NEUTRON POWDER DIFFRACTION (NPD) (3)
PROTON MAGNETIC RESONANCE (1H NMR) (3)
TETRAAQUACALCIUM NITRATE(V) (3)
TETRAAQUACALCIUM PERCHLORATE (3)
TG (3)
THERMAL DECOMPOSITION (3)
THERMAL DECOMPOSITION (TG/DTG/QMS) (3)
CRYSTAL STRUCTURE AND MOLECULAR REORIENTATIONS (2)
DIFFERENTIAL SCANNING CALORIMETRY (2)
DIFFERENTIAL SCANNING CALORIMETRY (DSC) (2)
FOURIER TRANSFORM MIDDLE AND FAR INFRARED SPECTROSCOPY (FT-MIR AND FT-FIR) (2)
HEXAAMMINEMANGANESE(II) PERCHLORATE (2)
HEXAAQUASTRONTIUM CHLORIDE (2)
MELTING POINTS (2)
MOLECULAR REORIENTATIONS AND VIBRATIONS (2)
NEUTRON POWDER DIFFRACTION (2)
RAMAN SCATTERING (RS) (2)
STRUCTURAL CHANGES (2)
TETRAAMMINENICKEL(II) PERRHENATE (2)
TG KINETICS ANALYSIS (2)
X-RAY POWDER DIFFRACTION (XRPD) (2)
X-RAY SINGLE CRYSTAL DIFFRACTION (2)
XRPD (2)
A. INORGANIC COMPOUNDS (1)
AMMONIA REORIENTATIONAL DYNAMICS (1)
ANHYDROUS CALCIUM NITRATE(V) (1)
ANHYDROUS CALCIUM PERCHLORATE (1)
C. NEUTRON SCATTERING (1)
C. X-RAY DIFFRACTION (1)
CHOLESTEROL (1)
D. NUCLEAR MAGNETIC RESONANCE (NMR) (1)
D. PHASE TRANSITIONS (1)
DENSITY FUNCTIONAL THEORY (1)
DENSITY FUNCTIONAL THEORY (DFT) CALCULATION (1)
DIAQUACALCIUM RHENATE(VII) (1)
DPPC (1)
DTA (1)
DYNAMICS OF NH3 GROUPS (1)
FOURIER TRANSFORM FAR INFRARED SPECTROSCOPY (FT-FIR) (1)
FOURIER TRANSFORM MIDDLE AND FAR INFRARED SPECTROSCOPY (FT‐MIR AND FT‐FIR) (1)
FOURIER TRANSFORM MIDDLE INFRARED SPECTROSCOPY (FT-MIR) (1)
FOURIER TRANSFORM MIDDLE- AND FAR-INFRARED SPECTROSCOPY (FT-MIR AND FT-FIR) (1)
FT-RS (1)
FT-RS AND UV–VIS SPECTRA (1)
FT‐RS AND FT‐IR SPECTROSCOPIES (1)
HEXAAMMINE COBALT(III) CHLORATE(VII) (1)
HEXAAMMINECADMIUM PERCHLORATE (1)
HEXAAMMINECALCIUM CHLORATE(VII) (1)
HEXAAMMINECALCIUM PERCHLORATE (1)
HEXAAMMINECOBALT(II) NITRATE(V) (1)
HEXAAMMINEMANGANESE(II) NITRATE(V) (1)
HEXAAMMINENICKEL(II) PERRHENATE (1)
HEXADIMETHYLSULFOXIDEMANGANESE(II) CHLORATE(VII) (1)
HIGHLY DISORDERED CRYSTAL (1)
INELASTIC AND QUASI-ELASTIC INCOHERENT NEUTRON SCATTERING (IINS AND QENS) WITH SIMULTANEOUS NEUTRON POWDER DIFFRACTION (NPD) (1)
INELASTIC AND QUASI-ELASTIC INCOHERENT NEUTRON SCATTERING (QENS AND IINS) (1)
INELASTIC NEUTRON SCATTERING (INS) (1)
INFRARED ABSORPTION BAND SHAPE ANALYSIS (1)
INFRARED SPECTROSCOPY (1)
INFRARED SPECTROSCOPY (FT-IR) (1)
IR (1)
IR AND RS BAND SHAPE ANALYSIS (1)
IR BAND SHAPE ANALYSIS (1)
MELATONIN (1)
NEUTRON SCATTERING METHODS (IINS/QENS) (1)
QUASI-ELASTIC AND INELASTIC NEUTRON SCATTERING (1)
RAMAN SPECTROSCOPY (FT-RAMAN) (1)
REORIENTATIONAL DYNAMICS (1)
RS AND FT‐IR SPECTROSCOPY (1)
RS BAND SHAPE ANALYSIS (1)
TETRAAMMINECADMIUM RHENATE(VII) (1)
TETRAAMMINEZINC RHENATE(VII) (1)
TG–DTG–DTA–QMS (1)
THERMAL ANALYSIS (1)
THERMAL DECOMPOSITION (TG/QMS) (1)
TRANS/GAUCHE CONFORMATIONS (1)
TRIAQUABARIUM CHLORATE(VII) (1)
VIBRATIONAL SPECTRUM (FT-IR, FT-RS) (1)
X-RAY AND NEUTRON POWDER DIFFRACTION (1)
X-RAY SINGLE CRYSTAL AND NEUTRON POWDER DIFFRACTION (XRSCD, NPD) (1)
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Elsevier (17)
Springer (6)
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Search results for: Joanna Hetmańczyk

Model phospholipid interaction with cholesterol and melatonin: Raman spectroscopy and density functional theory study

Dynamics of H₂O ligands and ReO₄⁻ anions at the phase transition in [Mn(H₂O)₂](ReO₄)₂ studied by complementary spectroscopic methods

Crystal structure, phase transitions and vibrations of H₂O molecules in [Ca(H₂O)₂](ReO₄)₂

Dynamics of NH3 ligands and ClO4− anions in the phase transition in [Cd(NH3)6](ClO4)2 studied by x-ray powder diffraction, neutron scattering methods and infrared spectroscopy

Phase transition and dynamics of NH3 ligands in [Zn(NH3)4](ReO4)2

Phase transition, thermal dissociation and dynamics of NH3 ligands in [Cd(NH3)4](ReO4)2

Vibrational and reorientational dynamics, crystal structure and solid–solid phase transition studies in [Ca(H₂O)₆]Cl₂ supported by theoretical (DFT) calculations

Low-temperature phase transition in [Cd(OS(CH3)2)6](ClO4)2 studied by inelastic and elastic neutron scattering, Raman light scattering, and infrared absorption spectroscopy

Phase transition and NH3 dynamics in [Ni(NH3)4](ReO4)2 studied by infrared absorption, X-ray powder diffraction and neutron scattering methods

Inelastic and elastic neutron scattering studies of the vibrational and reorientational dynamics, crystal structure and solid–solid phase transition in [Mn(OS(CH3)2)6](ClO4)2 supported by theoretical (DFT) calculations

Vibrations and reorientations of NH3 molecules in [Mn(NH3)6](ClO4)2 studied by infrared spectroscopy and theoretical (DFT) calculations

Comparison of vibrational dynamics, thermal behaviour, and phase transition in [Ni(NH₃)₄](ReO₄)₂ and [Ni(NH₃)₆](ReO₄)₂

Vibrations and reorientations of H2O molecules in [Sr(H2O)6]Cl2 studied by Raman light scattering, incoherent inelastic neutron scattering and proton magnetic resonance

Thermal properties of polycrystalline [Mn(NH₃)₆](ClO₄)₂

Crystal structure of two [Ba(H2O)3](ClO4)2 phases and H2O ligands reorientational motions studied by X-ray single crystal, inelastic and quasielastic incoherent neutron scattering and proton magnetic resonance

Vibrational and reorientational motions of H2O ligands, phase transition and thermal properties of [Sr(H2O)6]Cl2

Phase transitions in [Co(NH3)6](ClO4)3 investigated by neutron scattering methods

Raman light scattering, infrared absorption and DSC studies of the phase transition and vibrational and reorientational dynamics of H₂O ligands and ClO₄^– anions in [Ba(H₂O)₃](ClO₄)₂

Phase transition in [Ca(NH3)6](ClO4)2 studied by neutron scattering methods and far infrared spectroscopy

Thermal properties, phase transitions, vibrational and reorientational dynamics of [Mn(NH₃)₆](NO₃)₂

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