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Search results for: ANIONY
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Anion–water interactions of weakly hydrated anions: molecular dynamics simulations of aqueous NaBF4 and NaPF6
PublicationIn aqueous ionic solutions, both the structure and the dynamics of water are altered dramatically with respect to the pure solvent. The emergence of novel experimental techniques makes these changes accessible to detailed investigations. At the same time, computational studies deliver unique possibilities for the interpretation of the experimental data at the molecular level. Here, using molecular dynamics simulations, we demonstrate...
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Anab initiostudy of the betaine anion–dipole-bound anionic state of a model zwitterion system
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Dipole-bound anions supported by charge-transfer interaction: valence- and dipole-bound anionic states of H3N→BF3
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Is 9-acridinamine anion a dispersion-bound anion?
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Anion–cation interactions in a series of salts with substituted Hphen, Hbpy and H2bpy cations and [W(CN)8]4− anion: polymer with “super-short” N–H⋯N hydrogen bridges containing exclusively anions and H+
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Recognition and sensing of anions
PublicationMolecular ion recognition is one of the most intensively studied areas of supramolecular technology. The reason for this is the essential role that ions play in many biological as well as industrial processes. On the other hand, however, it has been proved that ions can have a negative impact on human health and the environment. For these reasons, it is extremly important to develop rapid and simple methods allowing the determination...
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Density, sound velocity, viscosity, and refractive index of new morpholinium ionic liquids with amino acid-based anions: Effect of temperature, alkyl chain length, and anion
PublicationIn this work, room temperature synthesis of twenty new ionic liquids (ILs) based on the N-alkyl-N-methylmorpholinium ([Mor1,R], R = 2, 3, 4, 6, 8) cation and N-acetyl-L-amino acid anions (L-alaninate, L-valinate, L-leucinate, L-isoleucinate) was described. The synthesized ILs were characterized by various spectroscopic techniques and high-resolution mass spectrometry. Furthermore, density (ρ), sound velocity (v), viscosity (η)...
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Bi-dipole-bound anions
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Halogenoids as Ligands in Superhalogen Anions
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Dipole-bound anions supported by charge-transfer interaction: Anionic states of HnF3?nN ? BH3 and H3N ? BHnF3?n (n = 0, 1, 2, 3)
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Stability of Superhalogen Anions in the Aqueous Phase
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The correlation-bound anion of p-chloroaniline
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Unusual structures of Mg2F5- superhalogen anion
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Anion recognition by n,n'-diarylalkanediamides
PublicationThe preparation of N,N'-diarylalkanediamides from respective aliphatic dicarboxylic acidesand 4-nitroaniline via microwave-promoted reactions is presented. The most positive effect of microwave irradiation was observed for N,N'-bis(4-nitrophenyl)butanediamide. Anion binding studies on the obtained diamides were carried out in DMSO and acetonitrile using UV-vis and 1H NMR spectroscopy. A mechanism for selective fluoride recognition...
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Evaluation of the content of inorganic anions in tree saps
PublicationTree saps were once commonly used in the countries of Northern, Central and Eastern Europe. Although once almost forgotten, their popularity has been growing recently as part of an interest in organic food and traditional medicine. Tree saps, tapped mainly from birch and maple trees, are drunk both fresh and fermented or are used as raw material for the production of food products, e.g. syrups. The aim of this study was to determine...
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Hydroxide ion hydration in aqueous solutions
PublicationHydratacja anionu hydroksylowego w wodnych roztworach wybranych wodorotlenków metali alkalicznych została zbadana przy pomocy spektroskopii oscylacyjnej FTIR HDO izotopowo rozcieńczonej w H2O. Po raz pierwszy zastosowano do badań nad takimi układami ilościową wersję metody widm różnicowych. Pozwoliła ona na wyodrębnienie widma HDO zaburzonej przez substancję rozpuszczoną. Dane spektralne skonfrontowano z optymalnymi strukturami...
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Theoretical study of the dipole-bound anion (HPPH3)−
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Ionic hydration behavior derived from infrared spectra in HDO
PublicationNa podstawie widm HDO w zakresie podczerwieni scharakteryzowano hydratacjejonów o różnym charakterze. Zastosowana analiza danych widmowych opierała się na metodzie widm różnicowych. Wyniki prowadzą do wniosku, że kationy i aniony wywierają jakościowo bardzo różny wpływ na strukturę wody. Energia wiązań wodorowych cząsteczek wody oddziaływającej z anionem zmienia się proporcjonalnie z siłą polaryzującą anionów. W przeciwieństwie...
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Selected boron, aluminum, and gallium trihalide and trihydride anions
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Does the protonation of superhalogen anions always lead to superacids?
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Hydration of Carboxylate Anions: Infrared Spectroscopy of Aqueous Solutions
PublicationHydratacja anionów karboksylanowych w roztworach wodnych ich soli sodowych została zbadana przy wykorzystaniu spektroskopii FTIR z zastosowaniem cząsteczki HDO jako sondy molekularnej. Do wyznaczenia widm wody zaburzonej przez rozpuszczalnik wykorzystano ilościową wersję metody widm różnicowych. Widma te wykazują dwa pasma składowe przy ok. 2550 i ok. 2420 cm-1. Pasma te przypisano grupie -COO- anionu R-COO- (R = H, CH3, C2H5),...
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Anioły biznesu jako niekonwencjonalne źródło finansowania przedsiębiorczości
PublicationPodmioty gospodarcze, będąc elementem każdego modelu gospodarki, są bardzo istotne z punktu widzenia funkcjonowania wszystkich systemów ekonomicznych na świecie. Stan gospodarki jest bowiem silnie zależny od dynamicznego rozwoju sektora przedsiębiorczości. Zależność ta zachodzi na wszystkich etapach rozwoju gospodarczego, może ona jednak przybierać różne nasilenie i charakter. W Polsce, podobnie jak na całym świecie, powstaje wiele nowych...
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Vibrational Quenching of Optically Pumped Carbon Dimer Anions
PublicationCareful control of quantum states is a gateway to research in many areas of science such as quantum information, quantum-controlled chemistry, and astrophysical processes. Precise optical control of molecular ions remains a challenge due to the scarcity of suitable level schemes, and direct laser cooling has not yet been achieved for either positive or negative molecular ions. Using a cryogenic wire trap, we show how the internal...
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Fate of Dipole-Bound Anion States when Hydrated
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Is the p-chloroaniline anion bound almost entirely by correlation?
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Shape resonance of the ethylene anion stabilized in a molecular trap
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Excited electronic states of the anion of 7,7,8,8-tetracyanoquinodimethane (TCNQ)
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Ferrocenylated 1,3,5-triphenylbenzenes for the electrochemical detection of various cations or anions
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Ferrocene-pyrene conjugates for detection of various monovalent anions in solution
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Negatively Charged Xanthine. I. Anions Formed by Canonical Isomers
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Towards an understanding of the nature of superhalogen anions: anab initiostudy of the system
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Introducing various ligands into superhalogen anions reduces their electronic stabilities
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Dipole-Bound Anions of Glycine Based on the Zwitterion and Neutral Structures
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Is hydrogen capable of playing a central atom role in superhalogen anions?
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Unusual Influence of Fluorinated Anions on the Stretching Vibrations of Liquid Water
PublicationInfrared (IR) spectroscopy is a commonly used and invaluable tool in the studies of solvation phenomena in aqueous solutions. Concurrently, ab initio molecular dynamics (AIMD) simulations deliver the solvation shell picture at a molecular detail level and allow for a consistent decomposition of the theoretical IR spectrum into underlying spatial correlations. Here, we demonstrate how the novel spectral decomposition techniques...
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Biogenne aminy
PublicationW rozdziale omówiono zagadnienia związane z powstawaniem biogennych amin w surowcach i produktach żywnościowych oraz ich wpływ na zdrowie konsumentów.
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Integration of the Eurasian Economic Union in Comparison to European Union Integration
PublicationThe aim of the article is to show the specificity of the integration of the Eurasian Economic Union (EEU) on the example of the integration of the European Union (EU). The EEU is a relatively young grouping that was established in 2015 by Republic of Armenia, the Republic of Belarus, the Republic of Kazakhstan, the Kyrgyz Republic and the Russian Federation. Its creators try to give the Eurasian integration process a different...
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Theoretical interpretation of photoelectron spectra of the iridium neutral atom and anion
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Photoresponsive, amide-based derivative of embonic acid for anion recognition
PublicationThe synthesis and ion-binding properties of amide-based derivative of embonic acid andp-aminoazobenzenewere described. The new compound was characterized by X-ray structural analysis and spectroscopic methods.Ligand interacts in acetonitrile with Y-shaped anions (benzoates and acetates) and dihydrogen phosphatesforming complexes of 1:1 stoichiometry. In more polar DMSO the complexes stoichiometry changes to 2:1(L:anion). Light-inducedtranstocisisomerization...
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Chromogenic amides of pyridine-2,6-dicarboxylic acid as anion receptors
PublicationThe synthesis of simple, chromogenic pyridine-2,6-dicarboxylic acid amides, derivates of isomeric nitroanilines and aminonitrophenols, and their ion binding properties are described. The ligands' response to ionic species was examined by naked eye and was studied with the use of UV-Vis spectroscopy in DMSO and its mixture with water. The effect of the localisation and the type of the substituents in aromatic rings were discussed....
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Dissociative electron attachment and anion-induced dimerization in pyruvic acid
PublicationWe report partial cross sections for the dissociative electron attachment to pyruvic acid. A rich fragmentation dynamics is observed. Electronic structure calculations facilitate the identification of complex rearrangement reactions that occur during the dissociation. Furthermore, a number of fragment anions produced at electron energies close to 0 eV are observed, that cannot originate from single electron-molecule collisions....
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Repulsive Coulomb Barriers in Compact Stable and Metastable Multiply Charged Anions
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Stable anions formed by organic molecules substituted with superhalogen functional groups
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A metastable [(MgF3)2]2− dianion composed of two superhalogen anions
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Theoretical Search for Alternative Nine-Electron Ligands Suitable for Superhalogen Anions
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POLAND European Union
PublicationThe International Society of City and Regional Planners (ISOCARP) took an initiative to illustrate the processes of the spatial development of the member countries in the International Manual of Planning Practice (IMPP). The innovative aspect of this unique source of information is to emphasize the relationship between the planning system and its application in practice. The book consists of a concise synthesis of planning systems...
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Theoretical interpretations of photoelectron spectra of platinum atom, its cation and anion
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Are Radicals Formed During Anion-Exchange Membrane Fuel Cell Operation?
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Bound-Excited Electronic States of the Anion of 2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane
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Anion recognition by α-arylazo-N-confused calix[4]pyrroles
PublicationZsyntezowano nowe azowe pochodne N-odwróconych kaliks[4]piroli na drodze sprzęgania z różnymi solami arylodiazoniowymi. Zbadano zdolność kompleksowania anionów w chlorku metylenu oraz w acetonitrylu przez otrzymane związki z zastosowaniem spektrofotometrii UV-Vis.