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Search results for: X-RAY DIFFRACTION
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Two-dimensional simulations of concrete fracture at aggregate level with cohesive elements based on X-ray lCT images
PublicationThe paper presents results of two-dimensional meso-scale simulations of fracture in notched concrete beams subjected to three-point bending test. Concrete was assumed as a 4-phase material composed of aggregate grains placed in the cement matrix, interfacial transitional zones (ITZs) and macro-voids. The particle distribution was taken from real concrete beams on the basis of X-ray lCT images. Comprehensive numerical analyses were carried...
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Theoretical Modeling of High-Resolution X-ray Spectra Emitted by Tungsten and Molybdenum Ions from Tokamak Plasmas
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Modeling of the K and L x-ray line structures for molybdenum ions in warm dense Z-pinch plasma
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Incensfuran: isolation, X-ray crystal structure and absolute configuration by means of chiroptical studies in solution and solid state
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Crystallization and preliminary X-ray analysis of the isomerase domain of glucosamine-6-phosphate synthase from Candida albicans
PublicationSyntaza glukozamino-6-fosforanu (EC 2.6.1.16) katalizuje pierwszy, praktycznie nieodwracalny etap w szlaku biosyntezy heksozoamin, którego produktem końcowym jest UDP-GlcNAc, kluczowy substrat dla tworzenia ściany komórkowej drobnoustrojów. Otrzymano kryształy domeny izomerazowej syntazy GlcN-6-P z Candida albicans, składającej się z reszt 346-712 (42 kDa). Analiza rentgenograficzna kryształu wykazała, że należy on do grupy przestrzennej...
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A three-dimensional meso-scale approach with cohesive elements to concrete fracture based on X-ray μCT images.
PublicationArtykuł omawia wyniki numeryczne dotyczące pękania betonu uzyskane stosując trójwymiarowy model mezoskopowy z elementami kohezyjnymi. Obliczenia trójwymiarowe zostały wykonane dla zginanej belki betonowej. Beton został opisany jako model 3-fazowy. Mikrostruktura betonu odpowiadała zdjęciom tomograficznym. Wyniki numeryczne zostały porównane z wynikami doświadczalnymi. Uzyskano b. dobra zgodność między wynikami numerycznymi i doświadczalnymi.
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Oriented Gaussian beams for high-accuracy computation with accuracy control of X-ray propagation through a multi-lens system
PublicationA highly accurate method for calculating X-ray propagation is developed. Within this approach, the propagating wave is represented as a superposition of oriented Gaussian beams. The direction of wave propagation in each Gaussian beam agrees with the local direction of propagation of the X-ray wavefront. When calculating the propagation of X-ray waves through lenses, the thin lens approximation is applied. In this approximation,...
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Proton transfer and hydrogen bonds in supramolecular, self-assembled structures of imidazolium silanethiolates. X-ray, spectroscopic and theoretical studies
PublicationThe reaction of 1-methylimidazole, 2-ethyl-4-methylimidazole and 2-ethylimidazole with tris(2,6- diisopropylphenoxy)silanethiol (TDST) leads to the formation of three new salts, which have been characterized by elemental analyses, thermogravimetric analyses, FTIR spectroscopy, and their structures were determined by single-crystal X-ray diffraction. Structural analyses indicate that in all three compounds a proton transfer has...
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MODELLING OF CONCRETE FRACTURE AT AGGREGATE LEVEL USING DEM BASED ON X-RAY mu CT IMAGES OF INTERNAL STRUCTURE
PublicationThe paper describes two-dimensional meso-scale numerical results of fracture in notched concrete beams under quasi-static three-point bending. Concrete was modelled as a random heterogeneous 4-phase material composed of aggregate particles, cement matrix, interfacial transitional zones (ITZs) and air voids. As a numerical approach, the discrete element method (DEM) was used. The concrete micro-structure in calculations was directly...
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The synthesis, x-ray structure and metal cation complexation properties of colored crown with two heterocyclic residues as a part of macrocycle
PublicationZsyntezowano nowy eter koronowy zawierający ugrupowanie azowe, resztę pirolu i pirydyny w pierścieniu makrocyklicznym. Badano zdolność kompleksowania kationów metali w acetonitrylu oraz mieszaninę acetonitryl-woda. Do pomiarów wykorzystano spektrofotometrię UV-Vis. Ustalono strukturę krystalograficzną otrzymanego związku.
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Synthesis and Properties of Di-isopropylamino Derivatives of Diphosphanes and Triphosphanes: The X-Ray Structure of (iPr2N)2P-P(SiMe3)2
PublicationPrzeprowadzono reakcję (iPr2N)2PCl z P(SiMe3)2Li w wyniku której otrzymano difosfan (iPr2N)2P-P(SiMe3)2. Strukturę związku określono przy pomocy rentgenowskiej analizy strukturalnej. Otrzymano także pochodną litową (iPr2N)2P-P(SiMe3)Li w rekcji z nBuLi. W reakcji (iPr2N)2PCl z (iPr2N)2P-P(SiMe3)Li otrzymano trifosfan (iPr2N)2P-P(SiMe3)-P(NiPr2)2 z dużą wydajnością. Próby otrzymania pochodnej litowej (iPr2N)2P-PLi-P(NiPr2)2 zakończyły...
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An optimized controlled rate slow cooling protocol for bovine ovarian tissue cryopreservation by means of X-ray computed tomography
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Bimodal Nd-Doped LuVO4 Nanoprobes Functionalized with Polyacrilic Acid for X-Ray Computed Tomography and NIR Luminescent Imaging
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Modeling of soft N, M and L X-ray lines from tungsten relevant to plasma parameters in the WEST tokamak
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Unraveling the origin of the complex structure of the thorium Lγ x-ray lines in high-resolution spectra induced by heavy projectiles
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Morphology changes in Fe-Cr porous alloys upon high-temperature oxidation quantified by X-ray tomographic microscopy
PublicationThe effect of high-temperature oxidation at 850 C (10 h, 30 h, 100 h) and 900 C (10 h) on porous (30 % porosity) ferritic stainless steel (Fe22Cr) has been investigated using synchrotron tomographic microscopy, which allowed for visualisation, separation and quantitative analysis of the metallic core, closed pores, open pores and oxide scale phase. The same regions within the samples were investigated before and after oxidation...
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Modelling of concrete facture at aggregate level using DEM based on x-ray mu CT images of internal structure
PublicationW artykule pokazano wyniki dyskretne DEM dla pękania betonu poddanego zginaniu. Beton został symulowany jako ośrodek 4-fazowy. Mikrostrukturę betonu określono na podstawie zdjęć uzyskanych mikro-tomografem. Szczególną uwagę zwrócono na zjawiska mikrostrukturalne podczas zarysowania na poziomie kruszywa.
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Modelling of concrete fracture at aggregate level using FEM and DEM based on X-ray uCT images of internal structure
PublicationArtykuł podejmuje problem pękania w zginanych belkach betonowych. Proces pękania był obserwowany przy zastosowaniu mikrotomografii . Zaobserwowany proces był symulowany numerycznie przy zastosowaniu metody elementów skończonych i metody elementów dyskretnych. Beton był opisany jako materiał 4-fazowy. Otrzymano dobrą zgodność wyników numerycznych z doświadczalnymi.
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A three-dimensional meso-scale approach to concrete fracture based on combined DEM with x-ray micro-CT images
PublicationArtykuł omawia wyniki numeryczne uzyskane stosując 3-wymiarowy mezoskopowy model do opisu pękania w betonie na poziomie kruszywa w belce z nacięciem podczas zginania. Do obliczeń użyto metodę elementów dyskretnych. Beton został opisany jako materiał 4-fazowy złożony z kruszywa, zaprawy, makro-porów i stref przejściowych miedzy kruszywem a zaprawą. Kształt i położenia kruszywa przyjęto na podstawie skanów z mikro-tomografu. Uzyskano...
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Local structural and chemical ordering of nanosized Pt(3±δ)Co probed by multiple-scattering x-ray absorption spectroscopy
PublicationThis work reports a detailed investigation of the local structure and chemical disorder of a Pt(3±δ)Co thin film and Pt(3±δ)Co nanoparticles. We have used a combination of techniques including x-ray absorption spectroscopy (XAS), x-ray diffraction (XRD), and high-resolution transmission electron microscopy (TEM). The important effect of chemical ordering on pair and three-atom configurations has been studied using computer simulations...
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Selection of material for X-ray tomography analysis and DEM simulations: comparison between granular materials of biological and non-biological origins
PublicationPhysical properties and X-ray tomography images of five different granular materials: glass bead, glass grit, short grain white rice, sorghum and clay granules (Seramis) are investigated to select the most promising materials for numerical simulations and time-lapse X-ray tomography imaging. The examined materials represent granular materials of non-biological origin (glass bead, glass grit and Seramis) and granular plant materials...
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Computer-Aided Diagnosis of COVID-19 from Chest X-ray Images Using Hybrid-Features and Random Forest Classifier
PublicationIn recent years, a lot of attention has been paid to using radiology imaging to automatically find COVID-19. (1) Background: There are now a number of computer-aided diagnostic schemes that help radiologists and doctors perform diagnostic COVID-19 tests quickly, accurately, and consistently. (2) Methods: Using chest X-ray images, this study proposed a cutting-edge scheme for the automatic recognition of COVID-19 and pneumonia....
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Soft X-ray Induced Production of Neutral Fragments in High-Rydberg States at the O 1s Ionization Threshold of the Water Molecule
PublicationDissociation of water molecules after soft X-ray absorption can yield neutral fragments in high-Rydberg (HR) states. We have studied the production of such fragments by field ionization and ion time-of-flight (TOF) spectrometry. Neutral HR fragments are created at all resonances below the O 1s ionization potential (IP) and particularly within 1 eV above the O 1s IP. The latter effect is due to the recapture of the O 1s photoelectrons...
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Copper(II) complexes with substituted imidazole and chlorido ligands: X-ray, UV-Vis, magnetic and EPR studies and chemotherapeutic potential
PublicationCrystal structures, UV-Vis and EPR spectra and magnetic properties of four copper(II) complexes with chloride anions and 4-methylimidazole, 2-ethylimidazole, 2-isopropylimidazole or 2-ethyl-4-methylimidazole are described. In the solid state three of the complexes are mononuclear and one complex with 2-ethylimidazole is binuclear with bridging chlorido ions. UV-Vis spectra of the methanolic solutions of the complexes show LMCT...
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X-ray images of Baltic herring
Open Research DataA methodology for studying the geometric shape of Baltic herring swimbladders including the optimal way of catching, transporting and storing fish, the X-ray measurements and the X-ray image analysis, that does not change the natural shape of the fish swimbladder was developed. Fish for research was obtained in the area of the Polish coastal zone...
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Copper(II) complexes with substituted imidazole and chlorido ligands: X-ray, UV–Vis, magnetic and EPR studies and chemotherapeutic potential
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CALIBRATION OF LOW ENERGY X-RAY EXPERIMENTAL SETUP WITH STRONGLY FILTERED BEAM USING DATA FROM A SEMICONDUCTOR AND A THERMOLUMINESCENT DETECTORS
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Determination of selenium by X-ray fluorescence spectrometry using dispersive solid-phase microextraction with multiwalled carbon nanotubes as solid sorbent
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X-Ray difractogramms of multicomponent perovskites
Open Research DataThe dataset contains raw XRD patterns of four exemplary barium perovskites having 5 different B-cations, that is Zr, Hf, Sn, Ti and Ce, Zr, Hf, Sn, Ti and Y, Zr, Hf, Sn, Ti and Yb and Zr, Hf, Sn, Ti and Sm. The perovskites were synthesised and studied in the NCN project "High entropy oxides for energy conversion"
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Inner-shell fragmentation of molecules into neutral fragments in high-Rydberg states induced by soft X-ray excitation with pulsed-field ionization
PublicationIn the present communication, we will show the results of measurements probing the production of neutral high-Rydberg fragments at the K edges of the molecules containing oxygen and nitrogen atoms. The experiments were performed at the Gas Phase beamline of the Elettra synchrotron radiation laboratory (Trieste, Italy), exploiting a combined soft X-ray excitation with pulsed-field ionization and ion time-of-flight (TOF) spectrometry...
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Method for prediction of the frost resistance ability of air‐entrained concrete based on the 3D air void characteristics by x‐ray micro‐CT
PublicationIn modern construction, one of the most important factors in the execution of contracts is time. Standard procedures for assessing the frost resistance or concrete are usually very time-consuming and can take up to 40 days. The current paper is experimentally and practically oriented. It presents an alternative testing method, based on air void network, that allows to assess the frost resistance of concrete within just a few days...
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Evolution of the nanostructure of Pt and Pt–Co polymer electrolyte membrane fuel cell electrocatalysts at successive degradation stages probed by X-ray photoemission
PublicationWe present a set of XPS (X-ray photoemission spectroscopy) measurements and detailed data-analysis of electrodes for polymer electrolyte membrane fuel cell (PEMFC) based on carbon supported catalysts (Pt and Pt–Co) subjected to a step-like potential cycling (accelerated degradation test). The results of the measurements complete and corroborate parallel TEM (transmission electron microscopy), XRD (X-ray diffraction) and XAS (X-ray...
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Prediction of protein structure with the coarse-grained UNRES force field assisted by small X-ray scattering data and knowledge-based information
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Reconstructing human impact on peatland development during the past 200 years in CE Europe through biotic proxies and X-ray tomography
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X-ray photoelectron spectroscopy, Raman and photoluminescence studies on formation of defects in Cu:ZnO thin films and its role in nonlinear optical features
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5- epi -Incensole: synthesis, X-ray crystal structure and absolute configuration by means of ECD and VCD studies in solution and solid state
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XRD (X-ray diffraction) patterns of WS2/userGOx (composites of tungsten disulfide and ultrafast self-expanded and reduced graphene oxide), ex-WS2 (exfoliated tungsten disulfide) and GO (graphene oxide)
Open Research DataThese data contain XRD (X-ray diffraction) patterns of WS2/userGOx (composites of tungsten disulfide and ultrafast self-expanded and reduced graphene oxide), ex-WS2 (exfoliated tungsten disulfide) and GO (graphene oxide). The data were collected for samples obtained from three ex-WS2:GO dispersions - with 1:1, 1:2, and 2:1 weight ratios.
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X-ray diffractometry results of the Sr0.86Ti0.65Fe0.35O3 powder
Open Research DataThis dataset contains results of X-ray diffractometry mesurement (XRD) of the Sr0.86Ti0.65Fe0.35O3-d (STF35) powder. The phase composition of the investigated STF35 powder was analyzed by XRD at room temperature. It confirms the formation of the cubic perovskite oxide phase. Calculated average lattice constant is a 3.90882(1) Å, with Goodness of Fit...
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Mechanical and radiation shielding properties of concrete reinforced with boron--basalt fibers using Digital Image Correlation and X--ray micro--computed tomography
PublicationThe paper presents experimental investigations of the radiation shielding, mechanical and fracture properties of concrete reinforced with 5 kg/m3 of novel basalt fibers infused with boron oxide (BBF). However, further studies concerning other dosages i.e. 1 kg/m3, 10 kg/m3, 15 kg/m3 and 20 kg/m3 are currently carried out. Experiments with neutron source revealed that addition of BBF as a dispersed concrete reinforcement could improve...
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Enhancement of the Magnetic Coupling in Exfoliated CrCl 3 Crystals Observed by Low‐Temperature Magnetic Force Microscopy and X‐ray Magnetic Circular Dichroism
PublicationMagnetic crystals formed by 2D layers interacting by weak van der Waals forces are currently a hot research topic. When these crystals are thinned to nanometric size, they can manifest strikingly different magnetic behavior compared to the bulk form. This can be the result of, for example, quantum electronic confinement effects, the presence of defects, or pinning of the crystallographic structure in metastable phases induced by...
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Mechanical and fracture properties of concrete reinforced with recycled and industrial steel fibers using Digital Image Correlation technique and X-ray micro computed tomography
PublicationPaper presents investigation of fracture phenomenon in plain concrete and in concrete reinforced with both recycled steel fibers (RSF) and industrial steel fibers (ISF). The wedge splitting test (WST), which enables stable crack propagation for quasi-brittle materials, was carried out on 75 75 75 mm cube samples. Initially, fracture process zone development was investigated only on the surface of samples using Digital Image Correlation...
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High temperature X-Ray difractogramms of multicomponent orthoniobate
Open Research DataHigh-temperature XRD of calcium-doped (La0.2Nd0.2Sm0.2Gd0.2Eu0.2)1-xCaxNbO4-δ (x = 0.05) ortho-niobate. The oxide undergoes the transition between monoclinic and tetragonal structures.
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X-ray Photoelectron Spectroscopy studies of ammonium vanadate
Open Research DataThe DataSet contains the high-resolution XPS studies of the ammonium vanadate nanostructures obtained by the hydrothermal method. XPS analyses were carried out with an X-ray photoelectron spectrometer (Omicron NanoTechnology) with a 128-channel collector. The measurements were performed at room temperature in an ultra-high vacuum condition (below 1.1x10-8...
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X-ray diffractometry results of the SrTi0.50Fe0.50O3-d powder
Open Research DataThis dataset contains results of X-ray diffractometry mesurement (XRD) of the SrTi0.50Fe0.50O3-d (STF50) powder after ball milling. The phase composition of the investigated STF50 powder was analyzed by XRD at room temperature. The X-ray diffractometry (XRD) technique was used to determine the phase composition of the fabricated powder. Measurements...
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X-ray diffractometry results of the SrTi0.35Fe0.65O3-d powder
Open Research DataThis dataset contains results of X-ray diffractometry mesurement (XRD) of the SrTi0.35Fe0.65O3-d (STF35) powder after ball milling. The phase composition of the investigated STF35 powder was analyzed by XRD at room temperature. The X-ray diffractometry (XRD) technique was used to determine the phase composition of the fabricated powder. Measurements...
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X-ray diffractometry results of the SrTi0.30Fe0.70O3-d powder
Open Research DataThis dataset contains results of X-ray diffractometry mesurement (XRD) of the SrTi0.30Fe0.70O3-d (STF70) powder after ball milling. The phase composition of the investigated STF70 powder was analyzed by XRD at room temperature. The X-ray diffractometry (XRD) technique was used to determine the phase composition of the fabricated powder. Measurements...
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X-ray images of Baltic herring. Data analysis
Open Research DataBased on the developed methodology for the: (i) optimal method of catching, (ii) transporting and storing fish, (iii) measuring and (iv) analyzing X-rays images, the existing collection of X-ray images of Baltic herring, caught in October 2002 during the Swedish component of the Baltic International Acoustic Survey (BIAS) in the Baltic proper (ICES...
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π-Indenyl substituted zirconium compounds containing terminal bondedphosphanylphosphido ligands [Ind2Zr(Cl){(Me3Si)P-PR2-jP1}]. Synthesis,X-ray analysis and NMR studies
PublicationPraca prezentuję reakcję kompleksów indenylowych cyrkonu z solami litowymi difosfanów o ogólnym wzorze R2P-P(SiMe3)Li, gdzie R = tBu, Et2N, iPr2N. W wyniku tych reakcji otrzymano 3 nowe kompleksy fosfanylofosfidowe.Otrzymane nowe kompleksy zbadano przy pomocy technik rentgenowskiej analizy strukturalnej i NMR.Dichloro-bis(indenyl)zirconium(IV) reacts with lithium derivatives of diphosphanes R2P-P(SiMe3)Li (R = tBu, Et2N, iPr2N)...
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Monitoring the fracture process of concrete during splitting using integrated ultrasonic coda wave interferometry, digital image correlation and X-ray micro-computed tomography
PublicationThe paper deals with the continuous-time monitoring of mechanical degradation in concrete cubes under splitting. A series of experiments performed with integrated coda wave interferometry (CWI) and digital image correlation (DIC), supported with X-ray micro-computed tomography (micro-CT) is reported. DIC and micro-CT techniques were used to characterize the fracture process in detail. CWI method was proved to be effective in the...
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New examples of N^(+)-H···^(-)S hydrogen bonds: Synthesis and X-ray study of selected secondary ammonium tri-tert-butoxysilanethiolates
PublicationTri-tert-butoksysilanotiol reagując z aminami drugorzędowymi: Et2NH, morfoliną, dicykloheksyloaminą i 2,2,4,4-tetrametylopiperydyną daje odpowiednie sole amoniowe. Jak wykazują rentgenowskie badania strukturalne wszystkie te związki tworzą w ciele stałym jednostki dimeryczne {RS(-), R'NH2(+)}2, powiązane wiązaniami wodorowymi typu: N(+)-H···(-)S.