The Institute

The Division deals with the syntheses and diffraction and spectroscopic structural studies of single crystal and powder materials. The group is also involved in supporting research activities of other divisions of the Institute in measuring diffraction diagrams on X-ray powder diffractometer using reflection and transmission modes, also vs. temperature.

The head of the Department is dr hab. Anna Gągor, prof. ILTSR PAS

Research

• Studies of crystal structure and structural phase transformations of functional materials such as ferroics, multiferroics, ionic conductors, relaxors and dielectrics.
• Studies of correlated structural disorder in crystals by analysis and modeling of X-ray diffuse scattering.
• Structural and functional properties of metalophtalocyanines.
• Topological analysis of intermolecular interactions in crystals.
• Studies of molecular dynamics using methods of vibrational spectroscopy with polarized radiation on single crystal samples.
• Spectroscopic studies of crystals of complexes of amino acids and amines with various acids and metal salts.

DIVISION'S WEBPAGE

Important publications

List of all scientific articles published by researchers from  the Division of Structure Research can be accessed here:  BASE of KNOWLEDGE DSR. 

2024.

• D. Drozdowski, A. Kabański, D. Stefańska, M. Ptak, M. Mączka, A. Gągor "Layered methylhydrazinium lead halide perovskites: new crystal polymorphs with a tailored band gap and photoluminescence colour via halide substitution" J. Mater. Chem. C 12 (2024)  6653-6662
• M. Simenas, A. Gagor, J. Banys, M. Maczka "Phase Transitions and Dynamics in Mixed Three- and Low-Dimensional Lead Halide Perovskites" Chem. Rev. 124(5) (2024) 2281–2326
• M. Trzebiatowska, D. A. Kowalska, A. Ciżman, N. A. Wójcik, R. J. Barczyński, A. Pikul, J. K. Zaręba, M. Palewicz, T. Piasecki, K. Roleder, M. Gusowski, M. Mączka "The influence of azide and imidazole on the properties of Mn- and Cd-based networks: conductivity and nonlinear phenomena" J. Mater. Chem. C 12 (2024) 15119–15136
• K. Idczak, E. Jach, D. A. Kowalska, P. Wieczorek, A. Ciżman "An insight into the structure of nanocomposites in porous glasses and their interactions after contact with the environment" Applied Surface Science 669 (2024) 160390
• M. Sobiech, P. Luliński, K. Synoradzki, T. Bednarchuk, M. Janczura, V. Provorova, J. Giebułtowicz “Implementing magnetic molecularly imprinted solid phase extraction to analytical method for determination of 2-phenethylamine in cocoa powder and chocolate by LC-MS/MS system” Microchemical Journal 205 (2024) 111155
• D. Budzikur-Maciąg, V. Kinzhybalo, K. Ślepokura "Structural landscape studies of aminopyridinium hypodiphosphates: dehydration and polymorphism in 4-aminopyridinium salts" CrystEngComm 26 (2024) 6861–6872
• V. Kinzhybalo, J. Wojciechowski, P. Szklarz, A. Piecha-Bisiorek, M. Otręba, M. Siczek, K. Ślepokura "Sodium hypodiphosphate – a new ionic conductor. Synthesis, stability, conductivity and 3D electron diffraction crystal structure" J. Mater. Chem. C 12 (2024) 11347–11351
• K. Dyk, V. Kinzhybalo, Y. Horak, S. Butenko, M. Siczek, D. M. Kamiński "Bending the bonds: unveiling halogen interactions in the elastic polymorph of 2,5-bis­(3-bromo­phenyl)­furan" J. Appl. Cryst. 57 (2024) 104–114
• J. Janczak "Ethylenediamine control of the solid-state supramolecular chemistry of zinc phthalocyanine" Polyhedron 250 (2024) 116835
• A.F. Kateshali, F. Moghzi, J. Soleimannejad,  J. Janczak "Bacterial Cellulose – Based MOF Hybrid as a Sensitive Switch Off – On Luminescent Sensor for the Selective Recognition of L-Histidine" Inorg. Chem. 63 (2024) 3560-3571
• B.Z. Momeni, N. Davarzani, J. Janczak, N. Ma, A.S. Abd-El-Aziz "Progress in design and applications of supramolecular assembly of 2,2’:6’,2”-terpyridine-based first row d-block elements" Coordination Chemistry Reviews 506 (2024) 215619
• F. K. Arash, J. Soleimannejad,  J. Janczak "Ultrasound-Assisted Synthesis of Eu3+-Functionalized Zn(II) Coordination Polymer as Fluorescent Dual Detection Probe for Highly Sensitive Recognition of Hg(II) and L-Cys" Acta Cryst. B80 (2024) 208-218
• Z. Tylczyński, M. Wiesner, Z. Czapla,  A. Gągor "Spontaneous piezoeletric effect as evidence of ferroelastoelectricity in guanidine zinc sulfate crystal" Scientific Reports 14 (2024) 18020 
• M. Mączka,J.K. Zaręba, A. Nowok, N. Sokołowski, A. Sieradzki, A. Gągor, M. Ptak "Two-Dimensional Lead Iodide Perovskites with Extremely Reduced Dielectric Confinement: Embedded Self-Erasing Second-Harmonic Generation Switching, Thermochromism, and Photoluminescence" Chem. Mater.  36(21) (2024) 10758–10772
• M. Rowińska, D. Stefańska, T.J. Bednarchuk, J.K. Zaręba, R. Jakubas, A. Gągor "Polymorphism and Red Photoluminescence Emission from 5s2 Electron Pairs of Sb(III) in a New One-Dimensional Organic–Inorganic Hybrid Based on Methylhydrazine: MHy2SbI5" Molecules 29(2) (2024) 455

2023

• E. Jach, D.A. Kowalska, M. A. Gusowski, M. Trzebiatowska, M. Krupinski, W. Medycki, J. Jędryka, P.  Staniorowski, A. Cizman" Dynamics of organic cations in switchable quinuclidinium metal chlorides dielectrics" The Journal of Physical Chemistry C 127(5) (2023) 2589–2602
• J. Janczak "Ethylenediamine control of the supramolecular chemistry of magnesium phthalocyanine" Inorganica Chimica Acta 548 (2023) 121362
• M. Trzebiatowska, D.A. Kowalska, M.A. Gusowski, E. Jach, A. Ciżman "Dielectric switching in correlation with the structural phase transitions in tetrapropylammonium perchlorate" Phys. Chem. Chem. Phys. 25 (2023) 1269–1278
• M. Wojtaś, T. Bednarchuk, I. Bdikin “New hybrid: [H-β-(4-pyridyl)-Ala-OH] tetrafluoroborate – crystal structure and strong piezoelectricity” CrystEngComm 25 (2023) 3609
• K. Wydra, V. Kinzhybalo, J. Lisowski "Solid state structures and solution behaviour of tetranuclear lanthanide(III) carbonate-bridged coordination compounds of chiral 3 + 3 amine macrocycle" Dalton Trans. 52 (2023) 11992–12001
• D. Budzikur-Maciąg, V. Kinzhybalo, K. Ślepokura "Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system" CrystEngComm 25 (2023) 3826–3836
• S.Lakhera, M. Rana, K. Devlal, N. Kanagathara, J. Janczak" Photovoltaic characteristic of organic heterocyclic 2,9-dimethyl quinacridone in different solvents using DFT approach" J.  Photochem.  Photobiol. A: Chemistry 441 (2023) 114664
• M. Najafi, J. Janczak "A New 2D Coordination Polymer as Bifunctional Heterogeneous Catalyst for Tandem Deacetalization-Knoevenagel Reaction"  Appl. Organomet. Chem.   37 (2023) e7229
• D. Drozdowski, K. Fedoruk, A. Kabanski, M. Maczka, A. Sieradzki, A. Gagor "Broadband yellow and white emission from large octahedral tilting in (110)-oriented layered perovskites: imidazolium-methylhydrazinium lead halides" Journal of Materials Chemistry C 11(14) (2023) 4907 - 4915
• P. Szklarz, A. Gągor, R. Jakubas, W. Medycki, G. Bator " Temperature symmetry breaking and properties of lead-free organic-inorganic hybrids: bismuth(iii) iodide and antimony(iii) iodide: (S(CH3)3)3[Bi2I9] and (S(CH3)3)3[Sb2I9]" Dalton Transactions 52(34) (2023) 11981 - 11991
• M. Rowińska, A. Piecha-Bisiorek, W. Medycki, P. Durlak, R. Jakubas, A. Gagor "Structural, Electric and Dynamic Properties of (Pyrrolidinium)3[Bi2I9] and (Pyrrolidinium)3[Sb2I9]: New Lead-Free, Organic–Inorganic Hybrids with Narrow Band Gaps" Molecules 28(9) (2023) 3894
• M. Mączka, D. Drozdowski, D. Stefańska, A. Gągor "Zero-dimensional mixed-cation hybrid lead halides with broadband emissions" Inorganic Chemistry Frontiers 10(24) (2023) 7222 – 7230
• M. Stępień, A. Marszałek-Harych, M. Gazińska, A. Gągor, Ł. John, J. Ejfler "Novel Latent Catalyst for Ring-Opening Polymerization of 1,3-Benzoxazines Triggered by a Dual Ionic/Non-ionic Monomer Partnership" Macromolecules 56(15) (2023) 5730 - 5742
• M. Mączka, M. Ptak, A. Gągor, J.K. Zaręb, X. Liang, S. Baliunas, O.A. Semenikhin, O.I. Kucheriv, I.A. Guralskiy, S. Shova, A. Walsh, J. Banys, M. Šimėnas "Phase Transitions, Dielectric Response, and Nonlinear Optical Properties of Aziridinium Lead Halide Perovskites" Chemistry of Materials 35(22) (2023) 9725 - 9738

2022

• K. Fedoruk, D. Drozdowski, M. Mączka, J. Zareba, D. Stefańska, A. Gągor, A. Sieradzki "[Methylhydrazinium]2PbCl4, a Two-Dimensional Perovskite with Polar and Modulated Phases" Inorganic Chemistry, American Chemical Society 61(39) (2022) 15520-15531
• A. Adach, M. Tyszka-Czochara, K. Bukowska-Strakova, P. Rejnhardt, M. Daszkiewicz "In situ synthesis, crystal structure, selective anticancer and proapoptotic activity of complexes isolated from the system containing zerovalent nickel and pyrazole derivatives" Polyhedron 223 (2022) 115943
• D. Drozdowski, A. Gągor, D. Stefańska, J. Zarȩba, K. Fedoruk, M. Mączka, A. Sieradzki "Three-Dimensional Methylhydrazinium Lead Halide Perovskites: Structural Changes and Effects on Dielectric, Linear, and Nonlinear Optical Properties Entailed by the Halide Tuning" The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, American Chemical Society 126( 3) (2022) 1600-1610
• R. Kubiak, J. Janczak "Synthesis, structure, and UV-Vis characterization of antimony(III) phthalocyanine: [(SbPc)₂(Sb₂I₈)(SbBr₃)]­₂. Molecules 27 (2022) 1839
• M. Kowalik, J. Masternak, J. Brzeski, M. Daszkiewicz, B. Barszcz "Effect of a lone electron pair and tetrel interactions on the structure of Pb(II) CPs constructed from pyrimidine carboxylates and auxiliary inorganic ions" Polyhedron 219 (2022) 115818

2021

• D.A. Kowalska, V. Kinzhybalo, Y.I. Slyvka, M. Wołcyrz „Crystal structure and enantiomeric layer disorder of a copper(I) nitrate p-coordination compound” Acta Cryst. B 77 (2021) 241-248
• M. Mączka, J.K. Zarȩba, A. Gągor, D. Stefańska, M. Ptak, K. Roleder,  D. Kajewski, A. Soszyński, K.  Fedoruk, A. Sieradzki,  "[Methylhydrazinium]2PbBr4, a Ferroelectric Hybrid Organic-Inorganic Perovskite with Multiple Nonlinear Optical Outputs" 33 (7)  Chemistry of Materials (2021) 2331-2342
• J. Krzywik, M. Aminpour, J. Janczak, E. Maj, M. Moshari, W. Mozga, J. Wietrzyk, J. A. Tuszyński, A. Huczyński, An insight into the anticancer potential of carbamates and thiocarbamates of 10-demethoxy-10-methylaminocolchicine  European Journal of Medicinal Chemistry 215 (2021) 113282
• M.  Ma̧czka, A. Gagor, J.K. Zarȩba, D. Stefanska, M. Drozd, S. Balciunas, M. Šimėnas, J. Banys,  A. Sieradzki; “Three-Dimensional Perovskite Methylhydrazinium Lead Chloride with Two Polar Phases and Unusual Second-Harmonic Generation Bistability above Room Temperature” Chemistry of  Materials 32 (2020) 4072−4082
• P. Hayati, Z. Mehrabadi, M. Karimi, J. Janczak, K. Mohammadi, G.  Mahmoudi, F. Dadi, M.J.S. Fard, A. Hasanzadeh, S. Rostamnia "Photocatalytic Activity of New Nanostructures of Ag(I) Metal-Organic Framework (Ag-MOF) for the Efficient Degradation of MCPA and 2,4-D Herbicides under Sunlight Irradiation" New Journal of Chemistry 45 (2021) 3408-3417

2020

• M. Simenas, S. Balciunas, J.N. Wilson, S. Svirskas, M. Kinka, A. Garbaras, V. Kalendra, A. Gagor, D. Szewczyk, A. Sieradzki, M. Maczka, V. Samulionis, A. Walsh, R. Grigalaitis & J. Banys Suppression of phase transitions and glass phase signatures in mixed cation halide perovskites  Nature Communications11 (2020) 5103
• M. Mączka,  A. Gągor, J.K. Zarȩba, D. Stefanska, M. Drozd, S. Balciunas, M. Šimėnas, J. Banys,  A. Sieradzki "Three-Dimensional Perovskite Methylhydrazinium Lead Chloride with Two Polar Phases and Unusual Second-Harmonic Generation Bistability above Room Temperature" Chemistry of Materials32 (2020) 4072−4082
• M. Drozd "Mechanism of phase transition in guanidinium 4-nitrobenzoate studied by calorimetric and spectroscopic methods" Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 241 (2020) 118663
• M. Mączka,  A. Gągor, A. Stroppa, J.N. Gonçalves, J.K. Zaręba, D. Stefańska, A. Pikul, M. Drozd, A. Adam Sieradzki "Two-dimensional metal dicyanamide frameworks of BeTriMe[M(dca)3(H2O)] (BeTriMe = benzyltrimethylammonium; dca = dicyanamide; M = Mn2+, Co2+, Ni2+): coexistence of polar and magnetic orders and nonlinear optical threshold temperature sensing" Journal of Materials Chemistry C 8 (2020) 11735
• I. Bryndal, M. Drozd, T. Lis, J.K. Zaręba, H. Ratajczak "Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties and crystallographic and spectroscopic studies" CrystEngComm 22  (2020) 4552-4565
• F. Moghzi, J. Soleimannejad, E.C. Sañudo, J. Janczak "Dopamine sensing based on ultrathin fluorescent metal-organic nanosheets" ACS Applied Materials & Interfaces 12 (2020) 44499-44507

Apparatus

1. Structure research

• Oxford Diffraction X'calibur four-circle single-crystal X-ray diffractometer with CCD Atlas detector, Oxford Diffraction Helijet helium attachment (T = 10 - 300 K) and Oxford Cryosystem Cryostream 800 Plus low-temperature nitrogen attachment (T = 80 - 500 K).
• KM4 four-circle single-crystal X-ray diffractometer with a CCD detector, Oxford Cryosystem Cryostream 600 low-temperature nitrogen attachment (85-300 K) and Oxford Diffraction high-temperature attachmnet (T = 300-700 K). The diffractometer is also equipped in a high-pressure Merrill-Bassett chamber enabling measurements under hydrostatic pressure up to 10 GPa.
• PANalitycal X'Pert Pro X-ray powder diffractometer with Oxford Cryosystem 700 low-temperature nitrogen attachment (110-300 K) and Anton Paar HTK 1200 high-temperature closed attachment (325-1470 K); the diffractometer is able to work in Bragg-Brentano reflection geometry by using Johansson-type monochromator and in transmission geometry (for flat samples or capillaries) using a focusing mirror.

2. Optical studies

• Station for optical studies consisting of OLYMPUS BX53 microscope designed for observations in the polarized light with possible orthoscopic and conoscopic figure technique, equipped with Linkam THMS 600 temperature attachment (77-873 K), a XC50 CCD video camera, and SZX19 microscope for stereoscopic observations in transmitted and reflected light, with possibility of image recording.

3. Spectroscopical studies

• Bruker IFS-88 infrared (IR) and far infrared (FIR) Fourier spectrometer (range 4800-30 cm^-1 resolution of 0.5 cm^-1), with FRA-106 add-on for measurements of Fourier Raman spectra (range 3500- 80 cm^-1) in temperature range from 13 K to 1000 K, both in powder samples and single crystals in polarized light using transmission and reflection technique.
• Jobin-Yvon Ramanor U-1000 Raman spectrometer with CCD detector and a photomultiplier. Measuring range of 10-4000 cm^-1, with a resolution of 0.1 cm^-1 in the temperature range from 13 K to 1000 K.

4. Phase transition studies

• Perkin-Elmer 8000 differential scanning calorimeter (range from 100 K to 870 K) with TGA PE-TGA4000 add-on, ranging from room temperature to 1300 K.

Staff