Diverse Secondary Interactions Between Ions Exchanged Into the Resin Phase and Their Analytical Applications

Total Page:16

File Type:pdf, Size:1020Kb

Diverse Secondary Interactions Between Ions Exchanged Into the Resin Phase and Their Analytical Applications ANALYTICAL SCIENCES JANUARY 2014, VOL. 30 51 2014 © The Japan Society for Analytical Chemistry Reviews Diverse Secondary Interactions between Ions Exchanged into the Resin Phase and Their Analytical Applications Akio YUCHI Graduate School of Engineering, Nagoya Institute of Technology, Gokiso, Showa, Nagoya 466–8555, Japan The research activities by the author’s group to elucidate the chemical states of ions within the ion exchange resin phase are summarized. The resin with the higher exchange capacity has the smaller space available for ion exchange, and the higher cross linking degree interferes more with swelling of the resin. As a result, diverse secondary interactions between exchanged ions are observed on the resins of high exchange capacities and high cross linking degrees: the van der Waals contact results in incomplete exchange or enhanced dehydration of ions, hydrogen bond formation between acidic anions, and coadsorption of anions with metal ions. Contribution of the simple ion exchange mechanism to the reactions of iminodiactate-type chelating resins with metal ions in the acidic media is quantitatively discussed. The resulting complexes were successfully applied to preconcentration and separation of anions. Keywords Ion exchange resin, hydration state, coadsorption, hydrogen bond, preconcentration, separation (Received August 20, 2013; Accepted October 23, 2013; Published January 10, 2014) 1 Introduction 51 6 Hydration States of Multivalent Cations 2 Background Information 52 and Their Coadsorption with Anions 55 2·1 Resins 7 Reaction of IDA Resin and Gel with 2·2 Ions Excess M(II), M(III), and M(IV) 55 3 Incomplete Exchange by Bulky Ammonium 8 Preconcentration and Chromatography of Ions Due to van der Waals Contact 53 Anions on Chemically Immobilized Zr(IV) 56 4 Enhanced Dehydration of Strongly Hydrated 9 Conclusions 56 Ions Due to van der Waals Contact 53 10 Acknowledgements 57 5 Enhanced Dehydration and Intermolecular 11 References 57 – Hydrogen Bond Formation of H2PO4 on AXRs 54 interaction between ions and exchange groups with 1 Introduction electroneutrality unchanged, as in the case of liquid–liquid ion exchange. The selectivity was conventionally correlated first to The chemistry of ion exchange resins had been intensively the electric charge and second to the radius of the hydrated ion studied since their development in the 1950s, and an elaborate among the ions of the same charge. The formal concentration review was published by Helfferich as early as 1962.1 The of the ions in the resin (3 – 4 mol L–1) is, however, much higher methodology was sophisticated to ion chromatography.2 The than the concentration of the ions in the organic solvents in the primary driving force in these technologies is the electrostatic liquid–liquid ion exchange, so that various secondary interactions are expected between exchanged ions in the resin phase to modify the selectivity. The chemical states of ions within the Akio YUCHI received his Ph.D. degree in 1981 at Nagoya University. He worked at resin phase as products had, however, not been evaluated for a Nagoya Institute of Technology as long time. Research Associate (1981 – 1990), as Recently, a variety of instrumental analyses have been applied Lecturer (1990 – 1992), as Associate to evaluate the chemical states of ions in the resin phase, mainly Professor (1992 – 2003), and as Professor 3–20 (2003 –). His current research interest is by Japanese researchers, and the ion-exchange phenomena the separation and detection of ions based have been discussed at the molecular level. In contrast, we on phase transfer and chemical reactions. prepared resins of low exchange capacities which reduce secondary interactions; simple estimation suggests a larger volume available for ion exchange in such resins. Their performances were compared with those of conventional resins, so as to highlight the diverse secondary interactions shown in E-mail: [email protected] Scheme 1.21–24 In addition, the earlier studies on the reactions of 52 ANALYTICAL SCIENCES JANUARY 2014, VOL. 30 Scheme 1 Schematic illustrations of ions in the resin phase. (a) van der Waals contact between bulky QAs resulting in incomplete exchange (b) Chemical states of Na+ on CXRs of different exchange – capacities (c) Chemical states of H2PO4 on AXRs of different exchange capacities (d) Chemical states of Fe3+ on CXR of high exchange capacity (e) Coadsorption of OH– with Fe3+ on CXR of low exchange capacity (f) Coadsorption of O2– with Fe3+ on CXR of high exchange capacity. The circle connected with the bar indicates CXR or AXR, while the circle with or without the shell denotes the hydrated or naked cation or anion, which occasionally includes even the second hydration shell. Table 1 Properties of resins and ions EC Void rvoid r Resin Remark Ion mmol g–1 Å3 Å Å Cation-exchange resin Alkali cationa CG-4.6×4 4.55 Not available Amberlyst 252 Li+ 3.4 CG-4×2 3.95 320 4.0 Dowex 50W Na+ 3.8 CG-4×4 4.00 290 4.1 Dowex 50W K+ 4.2 CG-4×8 4.07 260 4.2 Dowex 50W Rb+ 4.3 CG-3.7×8 3.65 290 4.1 Amberlite IR120B Cs+ 4.5 CG-1×2 1.29 1500 7.1 Prepared CG-1 5 0.96 Not available Prepared × Quaternary ammonium ionb CP-4×12 3.91 280 4.0 Amberlite 252 + Chelating resin TMA 3.2 TEA+ 3.9 IP-2 2.10 Not available Amberlite IRC-718 TPA+ 4.4 IG-0.03 0.03 Not available Toyopearl 650M Anion-exchange resin Aniona AG-3.5×2 3.45 410 4.6 Dowex I F– 4.1 AG-3.5×4 3.48 410 4.6 Dowex I Cl– 4.6 AG-3.5×8 3.46 410 4.6 Dowex I Br– 4.8 – AG-1.5×1 1.45 1350 6.9 Prepared H2PO4 5.3 AG-0.9×2 0.87 2500 8.4 Prepared a. Radius of hydrated ion. b. Radius of naked ion. chelating resins with metal ions, which inspired the idea of 2 Background Information volume available for ion exchange,25–29 and the analytical applications of the metal complexes with a chelating gel as the composite material for preconcentration and separation of 2·1 Resins anions are also briefly reviewed.30–35 The properties of the resins used are summarized in Table 1. ANALYTICAL SCIENCES JANUARY 2014, VOL. 30 53 Fig. 1 Adsorption isotherms of QAs on CXRs. CXR: (a) CG-1×2, (b) CG-4×2, (c) CG-4×8. QA: ●, TMA+; ▲, TEA+; ■, TPA+. Solid lines show calculated Langmuir isotherms, while dotted horizontal lines show saturated exchange capacities. The first letter of the abbreviated name indicates whether it is a cationic (C), chelating (I), or anionic (A) resin, the second letter specifies whether it is a gel (G) or porous (P), the first digit shows the approximate exchange capacity (EC), and the second digit the cross-linking degree (CL), if available. The cation exchange resins (CXRs) of low EC were synthesized by polymerization,24 while the anion exchange resins (AXRs) of low EC were derived from the Merrifield resin.22 The volumes available for ions in the resins were estimated as follows: the volume of one functional group associated with a certain ion could be calculated from the exchange capacity and the density of the dried resin, while the volume of the same functional group without ion could be estimated based on the additivity of molar volumes. The difference between these volumes, called void, allows for the space for ions. On the assumption that the entire volume is effectively used, the maximum radius of the spherical species occupying this space in the dry state, rvoid, is estimated as shown in Table 1; all these numbers indicate the radius based on only the additivity without considering the effect of cross-linking. The radius decreases to Fig. 2 Hydration numbers of alkali metal ions on CXRs and in 60% with an increase in capacity by 4 times. Some attempts to water. ◆, nM on CG-1×2; ▲, nM on CG-4×2; ■, nM on CG-4×8; ●, n . M+: Li+, Na+, K+, Rb+, Cs+ in the increasing order of r . experimentally determine the space available for ion exchange M,aq(D) hyd are now in progress in our laboratory. 2·2 Ions The properties of the ions used are also summarized in the mean diameters of micropores in CXRs suspended in water Table 1. The radius of each of the hydrated alkali metal ions (343 Å at divinylbenzene content of 1%; 151 Å at 2%; 58 Å at and anions in water was simply estimated by the sum of the 4%; 30 Å at 8%; 15 Å at 16%) was much larger than twice the ionic radius and twice the van der Waals radius of oxygen ionic radius of QAs (Table 1). A comparison of the ionic radii (2.8 Å) to a precision of 0.1 Å. The ionic radius of quaternary of these ions with the radius of the void of each resin indicates ammonium ion (QA) was calculated from the partial molar that the possible van der Waals contact between bulky QAs at volume at infinite dilution. As a rough image, the radii of high loading into the resin phase rather interferes with the hydrated alkali metal ions and naked QAs cover a comparable quantitative exchange (Scheme 1(a)). range of 3.2 – 4.5 Å, while the radii of hydrated anions are appreciably larger than those of cations. 4 Enhanced Dehydration of Strongly Hydrated Ions Due to van der Waals Contact 3 Incomplete Exchange by Bulky Ammonium Ions Due to van der Waals Contact The hydration number (nM) was determined for alkali metal ions (M+) quantitatively exchanged on the same three CXRs at the The exchange equilibria of K+ on CXRs (CG-1×2, 4×2, 4×8) by relative humidity of 50% and is plotted against the radius of the + + + 21 QAs (TMA , tetramethyl-; TEA , tetraethyl-; TPA , tetrapropyl- hydrated ion (rhyd) in Fig.
Recommended publications
  • ATOMIC RADII of the ELEMENTS References
    ATOMIC RADII OF THE ElEMENTS The simple model of an atom as a hard sphere that can approach The Cambridge Crystallographic Data Center also makes use only to a fixed distance from another atom to which it is not bond- of a set of “covalent radii” to determine which atoms in a crystal ed has proved useful in interpreting crystal structures and other are bonded to each other . Thus two atoms A and B are judged to molecular properties . The term van der Waals radius, rvdw, was be connected by a covalent bond if their separation falls within a originally introduced by Pauling as a measure of this atomic size . tolerance of ±0 .4 Å of the sum rcov (A) + rcov (B) . The covalent radii Thus in a closely packed structure two non-bonded atoms A and are given in the fourth column of the table . B will be separated by the sum of their van der Waals radii rvdw (A) and rvdw (B) . The set of van der Waals radii proposed by Pauling References was refined by Bondi (Reference 1) based on crystallographic data, gas kinetic collision cross sections, and liquid state properties . The 1 . Bondi, A ., J. Phys. Chem. 68, 441, 1964 . non-bonded contact distances predicted from the recommended 2 . Rowland, R . S . and Taylor, R ., J. Phys. Chem. 100, 7384, 1996 . 3 . Cambridge Crystallographic Data Center, www .ccdc .cam .ac .uk/prod- r of Bondi have been compared with actual data in the collec- vdw ucts/csd/radii/ tion of the Cambridge Crystallographic Data Center by Rowland and Taylor (Reference 2) and modified slightly .
    [Show full text]
  • Atomic and Ionic Radii of Elements 1–96 Martinrahm,*[A] Roald Hoffmann,*[A] and N
    DOI:10.1002/chem.201602949 Full Paper & Elemental Radii Atomic and Ionic Radii of Elements 1–96 MartinRahm,*[a] Roald Hoffmann,*[a] and N. W. Ashcroft[b] Abstract: Atomic and cationic radii have been calculated for tive measureofthe sizes of non-interacting atoms, common- the first 96 elements, together with selected anionicradii. ly invoked in the rationalization of chemicalbonding, struc- The metric adopted is the average distance from the nucleus ture, and different properties. Remarkably,the atomic radii where the electron density falls to 0.001 electrons per bohr3, as defined in this way correlate well with van der Waals radii following earlier work by Boyd. Our radii are derived using derived from crystal structures. Arationalizationfor trends relativistic all-electron density functional theory calculations, and exceptionsinthose correlations is provided. close to the basis set limit. They offer asystematic quantita- Introduction cule,[2] but we prefer to follow through with aconsistent pic- ture, one of gauging the density in the atomic groundstate. What is the size of an atom or an ion?This question has been The attractivenessofdefining radii from the electron density anatural one to ask over the centurythat we have had good is that a) the electron density is, at least in principle, an experi- experimental metricinformation on atoms in every form of mental observable,and b) it is the electron density at the out- matter,and (more recently) reliable theory for thesesame ermost regionsofasystem that determines Pauli/exchange/ atoms. And the momentone asks this question one knows same-spinrepulsions, or attractive bondinginteractions, with that there is no unique answer.Anatom or ion coursing down achemical surrounding.
    [Show full text]
  • ARC: an Open-Source Library for Calculating Properties of Alkali Rydberg Atoms
    ARC: An open-source library for calculating properties of alkali Rydberg atoms N. Šibalic´a,∗, J. D. Pritchardb, C. S. Adamsa, K. J. Weatherilla aJoint Quantum Center (JQC) Durham-Newcastle, Department of Physics, Durham University, South Road, Durham, DH1 3LE, United Kingdom bDepartment of Physics, SUPA, University of Strathclyde, 107 Rottenrow East, Glasgow, G4 0NG, United Kingdom Abstract We present an object-oriented Python library for computation of properties of highly-excited Rydberg states of alkali atoms. These include single-body effects such as dipole matrix elements, excited-state lifetimes (radiative and black-body limited) and Stark maps of atoms in external electric fields, as well as two-atom interaction potentials accounting for dipole and quadrupole coupling effects valid at both long and short range for arbitrary placement of the atomic dipoles. The package is cross-referenced to precise measurements of atomic energy levels and features extensive documentation to facilitate rapid upgrade or expansion by users. This library has direct application in the field of quantum information and quantum optics which exploit the strong Rydberg dipolar interactions for two-qubit gates, robust atom-light interfaces and simulating quantum many-body physics, as well as the field of metrology using Rydberg atoms as precise microwave electrometers. Keywords: Alkali atom, Matrix elements, Dipole-dipole interactions, Stark shift, Förster resonances PROGRAM SUMMARY They are a flourishing field for quantum information process- Program Title: ARC: Alkali Rydberg Calculator ing [1, 2] and quantum optics [3, 4, 5] in the few to single exci- Licensing provisions: BSD-3-Clause tation regime, as well as many-body physics [6, 7, 8, 9, 10, 11], Programming language: Python 2.7 or 3.5, with C extension in the many-excitations limit.
    [Show full text]
  • Chalcogen-Nitrogen Bond: Insights Into a Key Chemical Motif
    Proceedings Chalcogen-nitrogen Bond: Insights into A Key Chemical Motif Marco Bortoli,1 Andrea Madabeni,1 Pablo Andrei Nogara,2 Folorunsho B. Omage,2 Giovanni Ribaudo,3 Davide Zeppilli,1 Joao Batista Teixeira Rocha,2* Laura Orian1* 1 Dipartimento di Scienze Chimiche Università degli Studi di Padova Via Marzolo 1 35131 Padova, Italy; [email protected] (M.B.); [email protected] (A.M..); [email protected] (D.Z.) 2 Departamento de Bioquímica e Biologia Molecular, Universidade Federal de Santa Maria, Santa Maria, 97105-900, RS Brazil; [email protected] (P.A.N.); [email protected] (F.B.O.) 3 Dipartimento di Medicina Molecolare e Traslazionale, Università degli Studi di Brescia, Viale Europa 11, 25123 Brescia, Italy; [email protected] (G.R.) * Correspondence: : [email protected] (J.B.T.R), [email protected] (L.O.); † Presented at the 1st International Electronic Conference on Catalysis Sciences, 10–30 November 2020; Available online: https://eccs2020.sciforum.net/ Published: 10 November 2020 Abstract: Chalcogen-nitrogen chemistry deals with systems in which sulfur, selenium or tellurium is linked to a nitrogen nucleus. This chemical motif is a key component of different functional structures, ranging from inorganic materials and polymers to rationally designed catalysts, to bioinspired molecules and enzymes. The formation of a selenium-nitrogen bond, and its disruption, are rather common events in organic Se-catalyzed processes. In nature, along the mechanistic path of glutathione peroxidase, evidence of the formation of a Se-N bond in highly oxidizing conditions has been reported and interpreted as a strategy to protect the selenoenzyme from overoxidation.
    [Show full text]
  • Van Der Waals Radii of Elements S
    Inorganic Materials, Vol. 37, No. 9, 2001, pp. 871–885. Translated from Neorganicheskie Materialy, Vol. 37, No. 9, 2001, pp. 1031–1046. Original Russian Text Copyright © 2001 by Batsanov. Van der Waals Radii of Elements S. S. Batsanov Center for High Dynamic Pressures, Mendeleevo, Solnechnogorskii raion, Moscow oblast, 141570 Russia Received February 14, 2001 Abstract—The available data on the van der Waals radii of atoms in molecules and crystals are summarized. The nature of the continuous variation in interatomic distances from van der Waals to covalent values and the mechanisms of transformations between these types of chemical bonding are discussed. INTRODUCTION der Waals radius with the quantum-mechanical require- ment that the electron density vary continuously at the The notion that an interatomic distance can be periphery of atoms. thought of as the sum of atomic radii was among the most important generalizations in structural chemistry, In this review, the van der Waals radii of atoms eval- treating crystals and molecules as systems of interact- uated from XRD data, molar volumes, physical proper- ing atoms (Bragg, 1920). The next step forward in this ties, and crystal-chemical considerations are used to area was taken by Mack [1] and Magat [2], who intro- develop a universal system of van der Waals radii. duced the concept of nonvalent radius (R) for an atom situated at the periphery of a molecule and called it the atomic domain radius [1] or Wirkungsradius [2], ISOTROPIC CRYSTALLOGRAPHIC implying that this radius determines intermolecular dis- VAN DER WAALS RADII tances. Later, Pauling [3] proposed to call it the van der Kitaigorodskii [4, 5] was the first to formulate the Waals radius, because it characterizes van der Waals principle of close packing of molecules in crystalline interactions between atoms.
    [Show full text]
  • Quantum-Mechanical Relation Between Atomic Dipole Polarizability and the Van Der Waals Radius (Supplemental Material)
    Quantum-Mechanical Relation between Atomic Dipole Polarizability and the van der Waals Radius Dmitry V. Fedorov,1, ∗ Mainak Sadhukhan,1 Martin St¨ohr,1 and Alexandre Tkatchenko1 1Physics and Materials Science Research Unit, University of Luxembourg, L-1511 Luxembourg The atomic dipole polarizability, α, and the van der Waals (vdW) radius, RvdW, are two key quantities to describe vdW interactions between atoms in molecules and materials. Until now, they have been determined independently and separately from each other. Here, we derive the quantum- 1/7 mechanical relation RvdW = const. × α which is markedly different from the common assumption 1/3 RvdW ∝ α based on a classical picture of hard-sphere atoms. As shown for 72 chemical elements between hydrogen and uranium, the obtained formula can be used as a unified definition of the vdW radius solely in terms of the atomic polarizability. For vdW-bonded heteronuclear dimers consisting of atoms A and B, the combination rule α = (αA + αB )/2 provides a remarkably accurate way to calculate their equilibrium interatomic distance. The revealed scaling law allows to reduce the empiricism and improve the accuracy of interatomic vdW potentials, at the same time suggesting the existence of a non-trivial relation between length and volume in quantum systems. The idea to use a specific radius, describing a distance by Bondi [8] has been extensively used. However, it is an atom maintains from other atoms in non-covalent in- based on a restricted amount of experimental informa- teractions, was introduced by Mack [1] and Magat [2]. tion available at that time. With the improvement of Subsequently, it was employed by Kitaigorodskii in his experimental techniques and increase of available data, theory of close packing of molecules in crystals [3, 4].
    [Show full text]
  • Recent Developments in Chalcogen Chemistry
    RECENT DEVELOPMENTS IN CHALCOGEN CHEMISTRY Tristram Chivers Department of Chemistry, University of Calgary, Calgary, Alberta, Canada WHERE IS CALGARY? Lecture 1: Background / Introduction Outline • Chalcogens (O, S, Se, Te, Po) • Elemental Forms: Allotropes • Uses • Trends in Atomic Properties • Spin-active Nuclei; NMR Spectra • Halides as Reagents • Cation Formation and Stabilisation • Anions: Structures • Solutions of Chalcogens in Ionic Liquids • Oxides and Imides: Multiple Bonding 3 Elemental Forms: Sulfur Allotropes Sulfur S6 S7 S8 S10 S12 S20 4 Elemental Forms: Selenium and Tellurium Allotropes Selenium • Grey form - thermodynamically stable: helical structure cf. plastic sulfur. R. Keller, et al., Phys. Rev. B. 1977, 4404. • Red form - cyclic Cyclo-Se8 (cyclo-Se7 and -Se6 also known). Tellurium • Silvery-white, metallic lustre; helical structure, cf. grey Se. • Cyclic allotropes only known entrapped in solid-state structures e.g. Ru(Ten)Cl3 (n = 6, 8, 9) M. Ruck, Chem. Eur. J. 2011, 17, 6382 5 Uses – Sulfur Sulfur : Occurs naturally in underground deposits. • Recovered by Frasch process (superheated water). • H2S in sour gas (> 70%): Recovered by Klaus process: Klaus Process: 2 H S + SO 3/8 S + 2 H O 2 2 8 2 • Primary industrial use (70 %): H2SO4 in phosphate fertilizers 6 Uses – Selenium and Tellurium Selenium and Tellurium : Recovered during the refining of copper sulfide ores Selenium: • Photoreceptive properties – used in photocopiers (As2Se3) • Imparts red color in glasses Tellurium: • As an alloy with Cu, Fe, Pb and to harden
    [Show full text]
  • Monte Carlo Simulations of Polonium Drift from Radon Progeny in an Electrostatic Counter
    Monte Carlo Simulations of Polonium Drift from Radon Progeny in an Electrostatic Counter Devon Seymour Advised by Richard Gaitskell Brown University, Dept. of Physics, Providence RI 02912, USA May 4, 2017 1 Physics Motivation During the past two decades, a standard cosmological picture of the universe (the Lambda Cold Dark Matter or LCDM model) has emerged, which includes a detailed breakdown of the main constituents of the energy density of the universe. This theoretical framework is now on a firm empirical footing, given the remarkable agreement of a diverse set of astrophysical data. Recent results by Planck largely confirm the earlier Wilkinson Microwave Anisotropy Probe (WMAP) conclusions and confirm that the universe is spatially flat, with an acceleration in the rate of expansion and an energy budget comprising approximately 5% baryonic matter, 26% cold dark matter (CDM), and 69% dark energy[1]. Astrophysical measurements on mul- tiple length scales show that dark matter is consistent with like a particle model and not a modification of gravity. Grav- itational lensing of distant galaxies by foreground galactic clusters can provide a map of the total gravitational mass, showing that this mass far exceeds that Figure 1: LZ sensitivity projections. The of ordinary baryonic matter. baseline LZ assumptions give the solid black curve. LUX and ZEPLIN results The LUX-ZEPLIN (LZ) experiment are shown in broken blue lines. If LZ achieves its design goals (e.g., reducing the will attempt to establish the existence of radon background), the sensitivity would a type of dark matter known as WIMPs improve, resulting in the magenta sensi- tivity curve.
    [Show full text]
  • Python Module Index 79
    mendeleev Documentation Release 0.9.0 Lukasz Mentel Sep 04, 2021 CONTENTS 1 Getting started 3 1.1 Overview.................................................3 1.2 Contributing...............................................3 1.3 Citing...................................................3 1.4 Related projects.............................................4 1.5 Funding..................................................4 2 Installation 5 3 Tutorials 7 3.1 Quick start................................................7 3.2 Bulk data access............................................. 14 3.3 Electronic configuration......................................... 21 3.4 Ions.................................................... 23 3.5 Visualizing custom periodic tables.................................... 25 3.6 Advanced visulization tutorial...................................... 27 3.7 Jupyter notebooks............................................ 30 4 Data 31 4.1 Elements................................................. 31 4.2 Isotopes.................................................. 35 5 Electronegativities 37 5.1 Allen................................................... 37 5.2 Allred and Rochow............................................ 38 5.3 Cottrell and Sutton............................................ 38 5.4 Ghosh................................................... 38 5.5 Gordy................................................... 39 5.6 Li and Xue................................................ 39 5.7 Martynov and Batsanov........................................
    [Show full text]
  • Thorium Periodic Table of Elements
    Periodic Table of Elements https://periodic-table.pro/Element/Th/enView online at https://periodic-table.pro Thorium This foil is what remains after useful shapes were stamped out, but what those shapes were useful for remains a mystery. Pure thorium metal like this is quite rare, and not easily obtained. 01. OVERVIEW Symbol Th Atomic number 90 Atomic weight 232.0381 Density 11.724 g/cm³ Melting point 1750 °C Boiling point 4820 °C 02. THERMAL PROPERTIES Phase Solid Melting point 1750 °C Boiling point 4820 °C Absolute melting point 2023 K Absolute boiling point 5093 K Critical pressure N/A Critical temperature N/A Heat of fusion 16 kJ/mol Heat of vaporization 530 kJ/mol Heat of combustion N/A Specific heat 118 J/(kg K) Adiabatic index N/A Neel point N/A Thermal conductivity 54 W/(m K) Thermal expansion 0.000011 K¹ 03. PHYSICAL PROPERTIES Density 11.724 g/cm³ Density (liquid) N/A Molar volume 0.0000197917 Molar mass 232.03806 u Brinell hardness 400 MPa Mohs hardness 3 MPa Vickers hardness 350 MPa Bulk modulus 54 GPa Shear modulus 31 GPa Young modulus 79 GPa Poisson ratio 0.27 Refractive index N/A Speed of sound 2490 m/s Thermal conductivity 54 W/(m K) Thermal expansion 0.000011 K¹ 04. REACTIVITY Valence 4 Electronegativity 1.3 Electron affinity N/A Ionization energies 587, 1110, 1930, 2780 kJ/mol 05. SAFETY Autoignition point 130 °C Flashpoint N/A Heat of combustion N/A 06. CLASSIFICATIONS Alternate names N/A Names of allotropes N/A Block, Group, Period f, N/A, 7 Electron configuration [Rn]6d²7s² Color Silver Discovery 1829 in Sweden Gas phase N/A 07.
    [Show full text]
  • Does Oxygen Feature Chalcogen Bonding?
    molecules Article Does Oxygen Feature Chalcogen Bonding? Pradeep R. Varadwaj 1,2 1 Department of Chemical System Engineering, School of Engineering, The University of Tokyo 7-3-1, Tokyo 113-8656, Japan; [email protected] or [email protected] 2 The National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba 305-8560, Japan Received: 20 July 2019; Accepted: 28 August 2019; Published: 30 August 2019 Abstract: Using the second-order Møller–Plesset perturbation theory (MP2), together with Dunning’s all-electron correlation consistent basis set aug-cc-pVTZ, we show that the covalently bound oxygen atom present in a series of 21 prototypical monomer molecules examined does conceive a positive (or a negative) σ-hole. A σ-hole, in general, is an electron density-deficient region on a bound atom M along the outer extension of the R–M covalent bond, where R is the reminder part of the molecule, and M is the main group atom covalently bonded to R. We have also examined some exemplar 1:1 binary complexes that are formed between five randomly chosen monomers of the above series and the nitrogen- and oxygen-containing Lewis bases in N2, PN, NH3, and OH2. We show that the O-centered positive σ-hole in the selected monomers has the ability to form the chalcogen bonding interaction, and this is when the σ-hole on O is placed in the close proximity of the negative site in the partner molecule. Although the interaction energy and the various other 12 characteristics revealed from this study indicate the presence of any weakly bound interaction between the monomers in the six complexes, our result is strongly inconsistent with the general view that oxygen does not form a chalcogen-bonded interaction.
    [Show full text]
  • Theoretical Study of Xenon Adsorption in Uo2nanoporous Matrices Mehdi Colbert, Guy Treglia, Fabienne Ribeiro
    Theoretical study of xenon adsorption in UO2nanoporous matrices Mehdi Colbert, Guy Treglia, Fabienne Ribeiro To cite this version: Mehdi Colbert, Guy Treglia, Fabienne Ribeiro. Theoretical study of xenon adsorption in UO2nanoporous matrices. Journal of Physics: Condensed Matter, IOP Publishing, 2014, 26, 10.1088/0953-8984/26/48/485015. hal-03040139 HAL Id: hal-03040139 https://hal.archives-ouvertes.fr/hal-03040139 Submitted on 4 Dec 2020 HAL is a multi-disciplinary open access L’archive ouverte pluridisciplinaire HAL, est archive for the deposit and dissemination of sci- destinée au dépôt et à la diffusion de documents entific research documents, whether they are pub- scientifiques de niveau recherche, publiés ou non, lished or not. The documents may come from émanant des établissements d’enseignement et de teaching and research institutions in France or recherche français ou étrangers, des laboratoires abroad, or from public or private research centers. publics ou privés. Home Search Collections Journals About Contact us My IOPscience Theoretical study of xenon adsorption in UO2 nanoporous matrices This content has been downloaded from IOPscience. Please scroll down to see the full text. 2014 J. Phys.: Condens. Matter 26 485015 (http://iopscience.iop.org/0953-8984/26/48/485015) View the table of contents for this issue, or go to the journal homepage for more Download details: IP Address: 139.124.20.101 This content was downloaded on 27/11/2014 at 12:59 Please note that terms and conditions apply. Journal of Physics: Condensed Matter
    [Show full text]