Division of Structure Research
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.
Important publications in:
2021 Mirosław Ma̧czka, Anna Gagor, Jan K. Zarȩba, Dagmara Stefanska, Marek Drozd, Sergejus Balciunas, Mantas Šimėnas, Juras Banys, and Adam Sieradzki; “Three-Dimensional Perovskite Methylhydrazinium Lead Chloride with Two Polar Phases and Unusual Second-Harmonic Generation Bistability above Room Temperature”, Chem. Mater. 2020, 32, 4072−4082
2021 P. Hayati, Z. Mehrabadi, M. Karimi, Jan 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 Marek Drozd; Mechanism of phase transition in guanidinium 4-nitrobenzoate studied by calorimetric and spectroscopic methods; Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Volume 241, 2020, 118663
2020 Mirosław Mączka, Anna Gągor, Alessandro Stroppa, João Nuno Gonçalves, Jan K. Zaręba, Dagmara Stefańska, Adam Pikul, Marek Drozd and 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; J. Mater. Chem. C,2020, 8, 11735
2020 Iwona Bryndal, Marek Drozd, Tadeusz Lis, Jan K. Zaręba and Henryk Ratajczak; Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties and crystallographic and spectroscopic studies, CrystEngComm, 2020,22, 4552-4565
2020 F. Moghzi, J. Soleimannejad, E.C. Sañudo, Jan Janczak; Dopamine sensing based on ultrathin fluorescent metal-organic nanosheets; ACS Applied Materials & Interfaces 12 (2020) 44499-44507.
2019 Dorota Kowalska, Edyta Piskorska-Hommel, Andrzej Majchrowski, Marek Wołcyrz; “Modal disorder in rubidium tungstoniobate RbNbWO6 confirmed by EXAFS”; Journal of Solid State Chemistry, 276, 2019, 146-151; https://doi.org/10.1016/j.jssc.2019.04.037
2019 J. Zaręba, M. Nyk, Jan Janczak, M. Samoć; Three-photon Absorption of Coordination Polymer Transforms UV-to-VIS Thermometry into NIR-to-VIS Thermometry. ACS Applied Materials & Interfaces 11 (2019) 10435−10441.
2019 Jan Janczak; Water-Involved Hydrogen Bonds in Dimeric Supramolecular Structures of Magnesium and Zinc Phthalocyaninato Complexes. ACS Omega, 4 (2019) 3673-3683.
2019 T. J. Bednarchuk, W. Hornfeck, V. Kinzhybalo, Z. Zhou, M. Dušek, A. Pietraszko; The structures and phase transitions in 4-aminopyridinium tetraaquabis(sulfato)iron(III), (C5H7N2)[FeIII(H2O)4(SO4)2]; Acta Cryst. B75 (2019) 1144–1151.
2018 M. Rezaei, A. Abbasi, R. Dinarvand, M. Jeddi-Tehrani, Jan Janczak; Design and Synthesis of a Biocompatible 1D Coordination Polymer as Anti-Breast Cancer Drug Carrier, 5‑Fu: In Vitro and in Vivo Studies. ACS Appl. Mater. Interfaces 10 (2018) 17594−17604
2018 I. Hladka, D. Volyniuk, O. Bezvikonnyi, V. Kinzhybalo, T. J. Bednarchuk, Y. Danyliv, R. Lytvyn, A. Lazauskas, J. V. Grazulevicius; Polymorphism of derivatives of tert-butyl substituted acridan and perfluorobiphenyl as sky-blue OLED emitters exhibiting aggregation induced thermally activated delayed fluorescence; J. Mater. Chem. C, 6 (2018) 13179–13189.
2018 Gągor, A., Banach, G., Wȩcławik, M., Piecha-Bisiorek, A., Jakubas, R. The lone-pair-electron-driven phase transition and order-disorder processes in thermochromic (2-MIm)SbI4organic-inorganic hybrid, Dalton Transactions, 2017, 46(47), pp. 16605-16614
2018 M. Drozd, M. Daszkiewicz “A synthesis, X-ray crystallographic and vibrational studies of guanidinium o-nitrobenzoate hydrate. New NLO crystal in guanidinium nitrobenzoate family” Journal of Molecular Structure 1161 (2018) 383-392
2017 Tamara J. Bednarchuk, Dorota Kowalska, Vasyl Kinzhybalo and Marek Wołcyrz; “Temperature-induced reversible structural phase transition and X-ray diffuse scattering in 2-amino-3-nitropyridinium hydrogen sulfate”; Acta Cryst. (2017). B73, 337–346, https://doi.org/10.1107/S2052520617001524
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.
