Table for true summation effect in gamma-ray spectrometry

Probabilities of gamma-ray simultaneous emission have been calculated for the determination of correction factors of full-energy peak areas of radionuclides with a complex decay scheme at measurements of gamma-spectra using HPGe detectors. Coincidence probabilities were determined using the Monte Carlo method for the following radionuclides: ²²Na, ²⁴Na, ⁴⁶Sc, ⁵¹Cr, ⁵²Fe, ⁵⁴Mn, ⁵⁶Co, ⁵⁷Co, ⁵⁸Co, ⁵⁹Fe, ⁶⁰Co, ⁶⁴Cu, ⁶⁵Zn, ⁶⁷Cu, ⁶⁸Ge-⁶⁸Ga, ⁷⁵Se, ⁸⁵Sr, ⁸⁸Y, ⁹⁴Nb, ^108mAg, ¹⁰⁹Cd, ¹¹¹In, ¹²⁴Sb, ¹²⁵Sb, ¹²⁵I, ¹³¹I, ¹³²Cs, ¹³³Ba, ¹³⁴Cs, ¹³⁹Ce, ¹⁵²Eu, ¹⁵³Sm, ¹⁵³Gd, ¹⁵⁵Eu, ^166mHo, ¹⁶⁹Yb, ¹⁷⁷Lu, ¹⁸⁶Re, ²⁰⁷Bi, ²⁰⁸Tl, ²¹²Pb, ²¹²Bi, ²⁴¹Am.     

Recombination energy of N22+

The recombination energy of N₂²⁺ has been computed using N₂²⁺, N₂²⁺ and N₂ potential curves from the literature. Vibrational overlaps and energies liberated in the various N₂²⁺³∑^?_g,¹∑_g⁺, ³Π_u, ¹Π_u → N₂⁺(X²∑⁺_g, A ²∑⁺_g, A ²Π_u, B²∑_u⁺,C²∑_u⁺) vibronic transitions have been computed and used as input for determination of the N₂⁺ recombination energy.     

O‐loss photodissociation of the OCS+ ion in the low‐lying electronic states studied using multiconfiguration second‐order perturbation theory

The CASPT2 potential energy curves (PECs) for O‐loss dissociation from the X²Π, A²Π, B²Σ⁺, C²Σ⁺, 1⁴Σ^?, 1²Σ^?, and 1⁴Π states of the OCS⁺ ion were calculated. The PEC calculations indicate that X²Π, 1⁴Σ^?, 1²Σ^?, and 1⁴Π correlate with CS⁺(X²Σ⁺) + O(³P_g); A²Π and B²Σ⁺ correlate with CS⁺(A²Π) + O(³P_g); and C²Σ⁺ probably correlates with CS⁺(X²Σ⁺) + O(¹D_g). The CASSCF minimum energy crossing point (MECP) calculations were performed for the C²Σ⁺/1⁴Σ^?, C²Σ⁺/1⁴Π, A²Π/1⁴Σ^?, A²Π/1²Σ^?, A²Π/1⁴Π, and B²Σ⁺/1²Σ^? state pairs and the spin‐obit couplings were calculated at the located MECPs. A conical intersection point between the B²Σ⁺ and C²Σ⁺ potential energy surfaces was found at the CASSCF level. Based on our calculations, seven O‐loss predissociation processes of the C²Σ⁺ state are suggested and an appearance potential value of 7.13 eV for the CS⁺ + O product group is predicted. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011     

Ground state for two‐electron and electron‐muon three‐body atomic systems

In this article, the angular correlated configuration interaction method previously introduced by some of the authors is extended to three‐body atomic systems with general masses. A recently proposed angularly correlated basis set is used to construct ground state wave functions which: (i) satisfy exactly Kato cusp conditions at the two‐body coalescence points; (ii) have only linear coefficients; and (iii) show a fast convergency rate for the energy. The efficiency of the construction is illustrated by the study of the negatively charged hydrogen‐like systems (^∞H^?, T^?, D^?, ¹H^?, and Mu^?), neutral helium‐like systems (e^?e^{? ∞}He⁺²,e^?e^{? 4}He⁺², e^?e^{? 3}He⁺², e^?μ^{? ∞}He⁺², e^?μ ^?4He⁺², and e^?μ^{? 3}He⁺²), and positively charged lithium‐like systems (e^?e^{? ∞}Li⁺³, e^?e^{? 7}Li⁺³, e^?e^{? 6}Li⁺³, e^?μ^{? ∞}Li⁺³, e^?μ^{? 7}Li⁺³, and e^?μ^{? 6}Li⁺³). The ground state energies and other mean values are compared with those given in the literature, when available. Wave functions with a moderate number of (20 maximum) linear coefficients are given explicitly; they are sufficiently simple and accurate to be used in practical calculations of atomic collision in which multidimensional integrations are involved. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010     

Radioactive nuclides as tracers of environmental processes

Summary Relatively short-lived radioactive nuclides of cosmogenic origin, such as⁷Be (T_1/2=53.3 d),³²P (14.3 d),³³P (25.3 d),³⁵S (87.4 d) as well as²²Na (2.6 y) have come to be recognized as potential tools to trace environmental processes, such as precipitation, washout (precipitation scavenging), resuspension, atmospheric particle deposition and deposition patterns of airborne contaminants, aerosol deposition and aerosol trapping by above ground vegetation (air-to-vegetation transfer). Of the above radionuclides,⁷Be as well as²¹⁰Pb of terrestrial origin and¹³⁷Cs, a fission product radionuclide, are commonly used for determining the atmospheric particle deposition parameters. It was found that the deposition velocity of⁷Be-associated aerosol particles varied from 0.3 to 0.8 cm^. s^-1(average 0.5 cm^. s^-1), the washout ratio for⁷Be varied from 103 to 375 (average 144), the resuspension factor for the⁷Be-associated particles varied from 1.6^. 10^-4to 4.2^. 10^-4m^-1(average 2.3^. 10^-4m^-1) and the air-to-vegetation transfer rate for⁷Be varied from 5258 to 16180 m^3.kg^-1(average 9856 m^3.kg^-1) for grass, gramineae or poaceae the species. For the¹³⁷Cs-associated aerosol particles the deposition velocity varied from 1.3 to 6.3 cm^. s^-1(average 3.4 cm^. s^-1), the washout ratio for¹³⁷Cs varied from 284 to 3810 (average 1295), the resuspension factor for the¹³⁷Cs-associated aerosol particles varied from 0.1^. 10^-4to 1.2^. 10^-4m^-1(average 0.6^. 10^-4m^-1) and the air-to-vegetation transfer rate for¹³⁷Cs varied from 39638 to 345279 m^3.kg^-1(average 181197 m^3.kg^-1) for grass, gramineae or poaceaethe species.     

Direct titrimetric microdetermination of uranium

Summary Direct titrimetric method for the estimation of uranium(VI) in the range of 0.7 to 76 mg is performed by decomposing and oxidising the complex, {U(VI)O₂ · U(V)O₂ · Fe(CN)₆}, with ceric sulphate. The mixed valency state in the above mentioned complex has been confirmed by magnetic measurements, the isolated complex being paramagnetic. Na⁺, K⁺, Cs⁺, Ca²⁺, Sr²⁺, Mg²⁺, Be²⁺, Pd²⁺, La³⁺, Ir³⁺, Ru³⁺, and Te⁴⁺ do not interfere but Ag⁺, Tl⁺, Cu²⁺, Ba²⁺, CO²⁺, Ni²⁺, Zn²⁺, Pb²⁺, Hg²⁺, Sn²⁺, Bi³⁺, Au³⁺, Rh³⁺, Sb³⁺, In³⁺, Ti³⁺, Th⁴⁺, Zr⁴⁺, Pt⁴⁺, V⁵⁺, Se⁶⁺, MO⁶⁺, and Os⁸⁺ do.

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Zusammenfassung Die Bestimmung von Uran(VI) in der Größenordnung von 0,7 bis 76 mg erfolgt durch Zersetzung und Oxydation des Komplexes U(VI)O₂ · U(V)O₂ · · Fe(CN)₆ mit Cer(IV) sulfat. Die zweierlei Wertigkeitsstufen in diesem paramagnetischen Komplex wurden durch magnetische Messungen bestätigt. Na⁺, K⁺, Cs⁺, Ca²⁺, Sr²⁺, Mg²⁺, Be²⁺, Pd²⁺, La³⁺, Ir³⁺, Ru³⁺, and Te⁴⁺ stören nicht; hingegen stören Ag⁺, Tl⁺, Cu²⁺,Ba ²⁺, CO²⁺, Ni²⁺, Zn²⁺, Pb²⁺, Hg²⁺, Sn²⁺, Bi³⁺, Au³⁺, Rh³⁺, Sb³⁺, In³⁺, Ti³⁺, Th⁴⁺, Zr⁴⁺, Pt⁴⁺, V⁵⁺, Se⁶⁺, MO⁶⁺, and Os⁸⁺.

     

Titrimetric microdetermination of lanthanum

Summary A method for titrimetric determination of lanthanum is proposed by oxidising lanthanum rhodizonate with ceric sulphate directly. A violet coloured complex is precipitated when the solution containing sodium rhodizonate and lanthanum nitrate is boiled. By analysis it appears that with one lanthanum three rhodizonates are attached. It is observed that Na⁺, K⁺, and Zr⁴⁺ do not interfere but Ag⁺, Cs⁺, Tl⁺, Be²⁺, Ca²⁺, Sr²⁺, Ba²⁺, Zn²⁺, Mg²⁺, Hg²⁺, Cu²⁺, Sn²⁺, Pd²⁺, Bi³⁺, Au³⁺, Sb³⁺, Al³⁺, Rh³⁺, Ru³⁺, Ir³⁺, Th⁴⁺, Te⁴⁺, Pt⁴⁺, Se⁶⁺, Cr⁶⁺, W⁶⁺, and U⁶⁺ do.

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Zusammenfassung Zur maßanalytischen Bestimmung von Lanthan wird die unmittelbare Oxydation von Lanthanrhodizonat mit Cer(IV)-sulfat vorgeschlagen. Beim Kochen einer Lösung von Natriumrhodizonat und Lanthannitrat fällt ein violett gefärbter Komplex aus. Aus der Analyse ergibt sich das Verhältnis La: Rhodizonat =13. Na⁺, K⁺ und Zr⁴⁺ stören nicht im Gegensatz zu Ag⁺, Cs⁺, Tl⁺, Be²⁺, Ca²⁺, Sr²⁺, Ba²⁺, Zn²⁺, Mg²⁺, Hg²⁺, Cu²⁺, Sn²⁺, Pd²⁺, Bi³⁺, Au³⁺, Sb³⁺, Al³⁺, Rh³⁺, Ru³⁺, Ir³⁺, Th⁴⁺, Te⁴⁺, Pt⁴⁺, Se⁶⁺, Cr⁶⁺, W⁶⁺, und U⁶⁺.

     

210Pb and 210Po concentrations in the Venice lagoon ecosystem (Italy) and the potential radiological impact to the local public and environment

In order to evaluate the possible radiological impact to the local public and environment from a phosphogypsum stockpile, ²¹⁰Po and ²¹⁰Pb concentrations in river water, lagoon water, suspended matter, superficial sediment, algae and bivalves samples collected in Venice lagoon area have been investigated. The results show that the mean ²¹⁰Po and ²¹⁰Pb concentrations in river water are 1.42±0.36 mBq^.l^-1 and 1.46±0.39 mBq^.l^-1 with a mean ²¹⁰Po/²¹⁰Pb ratio of 0.98±0.17 and about 60% of them are associated with the particulate; ²¹⁰Po and ²¹⁰Pb contribution from the phosphogypsum stockpile to the river water is negligible. Higher ²¹⁰Po (2.61-5.67 mBq^.l^-1) and ²¹⁰Pb (1.31-3.62 mBq^.l^-1) concentrations in the lagoon waters have been observed if compared with the literature values. About 60% of ²¹⁰Po and ²¹⁰Pb are found in the soluble form with a mean ²¹⁰Po/²¹⁰Pb ratio of 1.79±1.47. ²¹⁰Po and ²¹⁰Pb concentrations in 28 out 37 sediment samples ranged from 26 to 45 Bq^.kg^-1 (dry weight), only 9 sediments with ²¹⁰Po and ²¹⁰Pb concentrations greater than 45 Bq^.kg^-1 are found and most of them are located 1-4 km near the phosphogypsum stockpile. The elevated ²¹⁰Po and ²¹⁰Pb concentrations in the sediments may be due to the contamination from the phosphogypsum stockpile. The mean ²¹⁰Po/²¹⁰Pb ratio (0.986±0.049) in the sediments shows that ²¹⁰Po and ²¹⁰Pb exist in nearly secular equilibrium. ²¹⁰Po and ²¹⁰Pb concentrations in algae vary with different species. The mean ²¹⁰Po and ²¹⁰Pb concentrations in Gracilaria compress and Ulva laetevirens which show a similar behavior, are 3.18±1.23 Bq^.kg^-1 and 2.42±1.26 Bq^.kg^-1 (fresh weight), respectively, with a mean ²¹⁰Po/²¹⁰Pb ratio of 1.45±0.34. The mean concentration factors with respect to the filtered water are 1096±424 for ²¹⁰Po and 1299±680 for ²¹⁰Pb. The mean ²¹⁰Po and ²¹⁰Pb concentrations in the soft part of Mytilus edulis are 23.2±9.7 Bq^.kg^-1 and 0.537±0.203 Bq^.kg^-1 (fresh weight), respectively, with a mean ²¹⁰Po/²¹⁰Pb ratio of 43.6±10.0. The mean concentration factors with respect to the filtered water are 8006±3351 for ²¹⁰Po and 290±109 for ²¹⁰Pb, showing a very high accumulation effect for ²¹⁰Po. The accumulation behaviors of Cerastoderma glaucum and Tapes philippinarum for ²¹⁰Po are similar to Mytilus edulis, but that for ²¹⁰Pb seems less effective, corresponding to a relatively higher ²¹⁰Po/²¹⁰Pb ratio. The estimated committed effective doses from ²¹⁰Po for the individual local public through ingestion of bivalves are in the range of 0.050-0.231 mSv^.y^-1.     

Synthesis of exo-3-amino-10-hydroxy-hexacyclo[10.2.1.0.0.0.0]pentadecane-5,7-diene-endo-3-carboxyclic acid and endo-3-amino-10-hydroxy-hexacyclo[10.2.1.0.0.0.0]pentadecane-5,7-diene-exo-3-carboxylic acid

Treatment of hexacyclo[7.4.2.0^1,9.0^3,7.0^4,14.0^6,15]pentadecane-10,12-diene-2,8-dione with aqueous sodium cyanide produced 2,8-dihydroxy-hexacyclo[7.4.2.0^1,9.0^3,7.0^4,14.0^6,15]pentadecane-10,12-diene-2,8-lactam and with sodium cyanide, ammonium chloride and ammonium hydroxide, 2-amino-8-hydroxy-hexacyclo [7.4.2.0^1,9.0^3,7.0^4,14.0^6,15]pentadecane-10,12-diene-2,8-lactam was obtained. 10-Hydroxy-hexacyclo [10.2.1.0^2,11.0^4,10.0^4,14.0^9,13]pentadecane-5,7-diene-3-one was converted into the corresponding aminonitrile and hexacyclo[10.2.1.0^2,11.0^4,10.0^4,14.0^9,13]pentadecane-5,7-diene-10-hydroxy-3-spiro-5′-hydantoin. Treatment of the latter with barium hydroxide produced exo-3-amino-10-hydroxy-hexacyclo [10.2.1.0^2,11.0^4,10.0^4,14.0^9,13]pentadecane-5,7-diene-endo-3-carboxylic acid. The isomeric endo-3-amino-10-hydroxy-hexacyclo[10.2.1.0^2,11.0^4,10.0^4,14.0^9,13]pentadecane-5,7-diene-exo-3-carboxylic acid was obtained from 3-cyano-3-ureido-hexacyclo[10.2.1.0^2,11.0^4,10.0^4,14.0^9,13]pentadecane-5,7-diene-10-ol.     

DR. Maurits Dekker: A Pioneer in Scientific Publishing

Abstract

Organic salts as initiators [A? ⁺B^?: Ph?₃C⁺ClO^? ₄, Ph?₃C⁺SbCl^? ₆, (?)Sp? ⁺ClO^? ₄, and (?)(Sp)?₂ ³⁺(ClO₄)^? ₃] and catalysts [A ⁺B?^?: (+)CSA?; A? ⁺B?^?: ph?₃C⁺(+)CSA?^? and (?)Sp?⁺(+)CSA?^?] are prepared and characterized by the dissociation constant (K _d), fraction of free ions (α), and specific rotation. The asymmetrically stereoselective induction of the initiators and catalysts in the polymerization of N-vinylcarbazole is in the order A? ⁺B?^? > A ⁺B?^? > A? ⁺B^?. The specific rotations of the poly(N-vinylcarbazole) (PVCZ)s obtained are generally in this order.     

N2 Activation in NiI–NN–NiI Units: The Influence of Alkali Metal Cations and CO Reactivity

After single electron reduction of the dinitrogen complex [L^tBuNi(μ‐η¹:η¹‐N₂)NiL^tBu] ( I ) with KC₈, reaction of the resulting compound K[L^tBuNi(μ‐η¹:η¹‐N₂)NiL^tBu] ( II ) with sodium sand yields KNa[L^tBuNi(μ‐η¹:η¹‐N₂)NiL^tBu] ( 1 ), which contains two different alkali metal ions. Treatment of I with two equivalents of sodium sand leads to the symmetric complex Na₂[L^tBuNi(μ‐η¹:η¹‐N₂)NiL^tBu] ( 2 ). Complexes 1 and 2 were investigated by single crystal X‐ray diffraction analysis as well as by Raman spectroscopy, and the results were compared with the data of K₂[L^tBuNi(μ‐η¹:η¹‐N₂)NiL^tBu] ( III ), which contains two K⁺ ions. Thus, it became obvious that the nature of the alkali metal ion M in compounds M₂[L^tBuNi(μ‐η¹:η¹‐N₂)NiL^tBu] has hardly any influence on the degree of NN bond activation. Furthermore, it was shown that treatment of the dinickel(I) complex III with CO leads to the dinickel(0) compound K₂[L^tBuNi(CO)]₂ ( 4 ) and N₂. Reaction of the unreduced dinickel(I) complex I with CO leads to a more simple replacement of the N₂ ligand and formation of [L^tBuNi(CO)] ( 3 ).     

A Nitron-Polyvinylbenzyl Chloride Polymer to Selectively Remove Oxidizing Anions from Non-Oxidizing Anions. Removal of NO3 − and NO2 − from Polluted Waters

Abstract

A nitron-polyvinylbenzyl chloride polymer was found to have a strong preference for oxidizing anions such as NO₃ ^?, NO₂ ^?, ReO₄ ^?, MnO₄ ^?, C1O₄ ^?, C1O₃ ^?, and Cr₂O₇ ⁼ but not for the non-oxidizing anions SO₄ ⁼, HSO₄ ^?, H₂PO₄ ⁼, HPO₄ ⁼, PO₄ ⁼, OH^?, CO₃ ⁼, HCO₃ ^?, F^?, C1^?, and Br^?.     

Synthesis and evaluation of two novel rhodamine-based fluorescence probes for specific recognition of Fec+ ion

Two low cytotoxic fluorescence probes Rb1 and Rb2 detecting Fe³⁺ were synthesized and evaluated. Rb1 and Rb2 exhibited an excellent selectivity to Fe³⁺, which was not disturbed by Ag⁺, Li⁺, K⁺, Na⁺, NH₄⁺, Fe²⁺, Pb²⁺, Ba²⁺, Cd²⁺, Ni²⁺, Co²⁺, Mn²⁺, Zn²⁺, Mg²⁺, Hg²⁺, Ca²⁺, Cu²⁺, Ce³⁺, AcO^?, Br^?, Cl^?, HPO₄^2?, HSO₃^?, I^?, NO₃^?, S₂O₃^2?, SO₃^2? and SO₄^2? ions. The detection limits were 1.87 × 10^?7 M for Rb1 and 5.60 × 10^?7 M for Rb2, respectively. 1:1 stoichiometry and 1:2 stoichiometry were the most likely recognition mode of Rb1 or Rb2 towards Fe³⁺, and the corresponding OFF–ON fluorescence mechanisms of Rb1 and Rb2 were proposed.     

Effect of Silica Gel ‘G’ on the Ion Exchange Behaviour of Antimonic Acid Thin Layers in The Chromatographic Study of Anions in Some Aqueous Organic Acid Systems: Determination of Ferricyanide and Dichromate Ions

Abstract

The ion exchange potential of antimonic acid and silica gel ‘G’ has been explored in thin layer chromatographic studies for the separation of anions. Several important and difficult binary separations of anions have been achieved as a result of these studies. Io^? ₃-Bro^? ₃, I^?-Io^? ₃, Io^? ₄-Io^? ₃, Io^? ₄-Po^?- ₄, Br^?-Bro^? ₃, Aso^?- ₄-Cro^?- ₄, S₂o^?- ₃-Po^?- ₄, CNS^?-S₂o^?- ₃, Io^? ₄-Cro^?- ₄, Bro^? ₃-Cro^?- ₄, Io^? ₃-Cr₂o^?- ₇ and s₂o₃-Cro^?- ₄ etc. are separations of analytical interest. Besides, a rapid microgram determination of [Fe(CN)₆]^3? (1–10 μg) and Cr₂o^2- ₇ (2–10 μg) ions have been made.     

Low-lying states of cs22+

Using an MC SCF CI method, wavefunctions for the ground state ¹∑⁺_g and the excited states of the symmetries ¹∑⁺_g, ¹Π_g, and ¹Δ_g of the Cs²⁺₂ ionic system are generated. The potential curves for eleven ¹∑⁺_g twelve ¹Π_g, and six ¹Δ_g states are calculated. Results suggest a small charge-transfer cross section for the reaction CS⁺ + Cs⁺ → Cs CS²⁺.     

Analytical aspects of organic acids

Summary Phenyl acetic acid has been found to be a selective reagent for the estimation of zirconium. The acid gives a white crystalline precipitate which is quantitative between pH values of 3.00 to 5.40. As the composition of the precipitate varies somewhat, direct weighing is not possible and the compound is ignited to the oxide. The ions Be²⁺, Ca²⁺, Sr²⁺, Zn²⁺, Hg²⁺, Pb²⁺, Mg²⁺, Ni²⁺, and Co²⁺ do not interfere, whereas the ions Fe³⁺, UO₂ ²⁺, Cr³⁺, Ba²⁺, Au⁺, Al³⁺, V₂O₄ ²⁺, Ti⁴⁺, Sn²⁺, and Ba²⁺ cause interferences in the estimation.

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Zusammenfassung Zur gravimetrischen Bestimmung von Zirkonium wird Phenylessigsäure empfohlen. Die weiße, kristalline Fällung ist im pH-Bereich 3,00–5,40 quantitativ. Infolge schwankender Zusammensetzung des Niederschlages ist eine direkte Wägung nicht möglich; er wird daher zum Oxid verglüht. Folgende Ionen stören nicht: Be²⁺, Ca²⁺, Sr²⁺, Zn²⁺, Hg²⁺, Pb²⁺, Mg²⁺, Ni²⁺ und Co²⁺; dagegen verursachen Fe³⁺, UO₂ ²⁺, Cr³⁺, Ba²⁺, Au⁺, Al³⁺, V₂O₄ ²⁺, Ti⁴⁺, Sn²⁺ und Ba²⁺ Störungen bei der Bestim mung.

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Part VI: See Z. analyt. Chem. 175, 29 (1960).     

Trennungen von Kationen in Titanhexacyanoferrat(II)-S?ulen

Zusammenfassung Die Trennung der Ionenpaare Rb⁺/Cs⁺, K⁺/Rb⁺, K⁺/Cs⁺, Na⁺/K⁺, Li⁺/Na⁺ mit Salzsäure oder Ammoniumchloridlösung als Elutionsmittel gelingt quantitativ oder nahezu quantitativ mit Hilfe von Titanhexacyanoferrat(II)-säulen. Die Cäsiumionen können nicht eluiert werden. Ebenso gelingt die Trennung der lonenpaare Sr²⁺/Ba²⁺, Ca²⁺/Ba²⁺, Ba²⁺/Cs⁺ und Sr²⁺/Cs⁺ quantitativ oder nahezu quantitativ. Auch eine partielle Trennung der Seltenen Erden ist möglich; Yttrium ist leichter eluierbar als die Lanthanide.

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Summary The quantitative or nearly quantitative separation of the ion pairs Rb⁺/Cs⁺, K⁺/Rb⁺, k⁺/Cs⁺, Na⁺/K⁺ and Li⁺/Na⁺ can be achieved with hydrochloric acid or ammonium chloride solutions as eluents by means of columns of titanium hexacyanoferrate(II). The elution of the Cs⁺ ions is not possible. In the same way the quantitative or nearly quantitative separation of the ion pairs Sr²⁺/Ba²⁺, Ca²⁺/Ba²⁺, Ba²⁺/Cs⁺ and Sr²⁺/Cs⁺ can be achieved. Also a partial separation of the rare-earth elements is possible; yttrium is more easily eluted than the lanthanides.

     

Estimation of a priori errors in ab initio calculations of thermochemical values for the example of the dissociation energies of the ZnO and ZnS molecules

The total energies of ZnO(¹Σ), ZnO(³Π), ZnO^?(²Σ), ZnO⁺(²Σ), ZnS(¹Σ), ZnS(³Π), ZnS^?(²Σ), and ZnS⁺(²Σ) were calculated ab initio by the CCSD(T) method with the use of atomic basis sets including 80, 84, and 93 functions for O, S, and Zn, respectively. Similar calculations were performed for the Zn atom [Zn(¹ S), Zn(³ P), Zn⁺(² S), Zn²⁺(¹ S)] and several oxygen and sulfur states [O(³ P), O^?(² S), O(¹ D), O₂(³Σ), O ₂ ^? (²Π), O₂(¹Δ), S(³ P), S^?(² S), S(¹ D), S₂(³Σ), S ₂ ^? (²Π), and S₂(¹Δ)]. The ideology of engagement groups suggested by us is considered. According to this approach, data treatment can be performed on the assumption that the errors in all the 24 results obey the normal distribution law. As a result, we obtained D _e(ZnO) = 1.70 ± 0.21 and D _e(ZnS) = 1.57 ± 0.25 eV (at a 95% confidence level).     

Selective reductive dimerization of homocubane series oximes

The mixture of di- and monoethylene ketals obtained by the reaction of 1,9-dibromopentacyc lo[5.4.0.0^2,6.0^3,10.0^5,9]-undeca-8,11-dione followed by hydrolysis and ring contraction by Faworsky method was converted into a mixture of ethylene ketals of 7-bromopentacyclo[5.3.0.0^2,5.0^3,9.0^4,8]decan-6-one-4- and 5-bromopentacyclo[5.3.0.0^2,5.0^3,9.0^4,8]decan-6-one-8-carboxylic acid where the carboxy group was replaced by bromine along the procedure of Hunsdiecker-Borodine-Cristol. 6-Ethylene ketal of the pentacyclo[5.3.0.0^2,5.0^3,9.0^4,8] decan-6-one obtained by the debromination of ethylene ketals of 4,7- and 5,8-dibromopentacyclo[5.3.0.0^2,5.0^3,9.0^4,8] decan-6-one was hydrolyzed to ketone whose oxime was selectively reduced on a platinum catalyst into the di-6-pentacyclo[5.3.0.0^2,5.0^3,9.0^4,8]decylamine. The reaction of reductive dimerization was also characteristic of pentacyclo[4.3.0.0^2,5.0^3,8.0^4,7]-nonan-9-one and pentacyclo[6.3.0.0^2,6.0^3,10.0^5,9]undecan-4-one oximes, whereas the composition of the reduction products of pentacyclo[5.4.0.0^2,6.0^3,10.0^5,9]undecan-8-one oxime depended on the amount of the catalyst.     

Solubilities and Ksp Values of the Less Soluble Anion Salts of “Nitron” (1,4-Diphenyl-3-anilino-1,2,4-triazoline)

Abstract

The solubilities and K_sp values at 25°C for the following anion salts of nitron are reported: VO₄ ⁼, Cro₄ ⁼, Cr₂O₇ ⁼,WO₄ ⁼, MoO₄ ⁼, BF₄ ^?, NO₃ ^?, NO₂ ^?, SeO₃ ⁼, S₂O₈ ⁼, SCN^?, Fe(CN)₆ ^?3, Fe(CN)₆ ^?4, Fe(CN)₅NO⁼, I^?, IO₄ ^?, CIO₃ ^?, CIO₄ ^?, BrO₃ ^?, and picrate^?. A total of 58 anions were tested.