Fragment methods for IR spectrum calculations of organophosphorus compounds

For highly toxic organophosphorus compounds on the limiting lists of the International Chemical Weapons Ban Treaty, fragment methods may be used for calculating their IR vibrational spectra; this is shown for O-alkyl alkylfluorophosphonates used as examples. The geometrical parameters and the parameters of the potential and electrooptic functions are found for the major fragments of these compounds. Due to this, fast predictive computation of IR spectra of O-alkyl alkylfluorophosphonates is possible, the accuracy of calculation being sufficient for spectral identification of these compounds; a database of the calculated IR spectra may be created.     

Magnesium phosphate clamps for spent nuclear fuel

Magnesium phosphate clapms are offered for conditioning spent nuclear fuel (SNF). It is experimentally shown that the starting material has a high fluidity which persists for not less one hour. It will allow reliable pouring tight SNF. The solid material with a density of 1.5–1.8 g cm⁻³ can function as a protective barrier: It is insoluble in water, and strontium and cesium radionuclides are strongly fixed in the material structure.     

Synthesis and spectral characteristics of Ni(II) 1-aryl-3-aryl(alkyl)-5-(benzothiazole-2-yl)formazanates

Novel mono-and binuclear metal complexes of Ni(II) based on 1-aryl-3-aryl(alkyl)-5-(benzothiazole-2-yl)formazanes were synthesized and their structures were studied by the electronic and IR spectroscopy, mass spectrometry and megnetochemical methods.     

Palladium(II) benzazolylformazanates: Synthesis,structure and optical properties

The Pd(II) complexes of 1-aryl-5-benzazolyl- and 1,5-dibenzimidazolylformazans are synthesized and characterized by UV and IR spectroscopy, mass spectrometry, and magnetochemical studies. The complexes exhibit the intense absorption in the near-IR spectral region (820–1020 nm). The interaction of the complexes with amines leads to the transformation into binuclear palladium formazanates, which absorb at 620–680 nm and whose structures were confirmed by X-ray diffraction analysis.     

Synthesis and Catalytic Properties of Copper(II) 1-Aryl-5-Benzothiazolylformazanates

New copper(II) benzothiazolylformazane complexes were synthesized and immobilized on AN-18 anion exchanger. The influence of the composition of the coordination core of copper(II) benzthiazolyl-formazanates and temperature on their catalytic properties in decomposition of H₂O₂ and oxidation of Na₂S in aqueous solution was studied.__________Translated from Zhurnal Prikladnoi Khimii, Vol. 78, No. 6, 2005, pp. 957–961.Original Russian Text Copyright © 2005 by Gorbatenko, Pervova, Lipunova, Maslakova, Lipunov, Sigeikin.     

The crystal and molecular structure of Ni(II) complex with 1-(2-carboxyphenyl)-3-isopropyl-5-(benzimidazole-2-yl)formazane

The binuclear Ni(II) 1-(2-carboxyphenyl)-3-isopropyl-5-(benzimidazole-2-yl)formazanate (Ni₂L₂ · 2H₂O) (I) was synthesized and its crystal and molecule structures were determined by X-ray diffraction. Crystals I are triclinic: space group P \(\bar 1\), a = 7.4811(11), b = 10.8821(15), c = 11.4168(13) Å, α = 105.690(11) Å, β = 90.537(11) Å, γ = 93.166(11) Å, V = 893.2(2) ų, ρ(calcd.) = 1.581 g/cm³, Z = 1.     

Electrosynthesis and studies of adducts of 2-amino-1-methylbenzimidazole with metal chelates based on 2-tosylamino-N-salicylideneaniline

For the first time the adducts of 2-amino-I-methylbenzimidazole (L) with cobalt, copper, and zinc chelates based on 2-tosylamino-N-salicylideneaniline were electrochemically synthesized, and the properties and structures of these adducts were studied. According to the IR and₁H NMR spectral data on the adducts obtained and X-ray structural analysis of the copper complex, the adducts of composition mL · ML' · nH₂O (m = 1 or 2; n = 0, 1, or 2) contain the L moiety bonded to the metal atom through the pyridine-type N atom of the imidazole ring.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 8, pp. 2093–2097, August, 1996.     

A spectral-kinetic study of the photochemical properties of 1-aryl-3-alkyl-5-(benzothiazol-2-yl)formazans

Photochemical transformations of 1-aryl-3-alkyl-5-(benzothiazol-2-yl)formazans under continuous irradiation conditions were studied by means of electronic absorption spectroscopy. It was shown that thermally reversible photoisomerization about the C=N bond occurred during irradiation.     

Miniature Nanostructured Power Sources on the Basis of Direct Nuclear Energy Conversion

Russian Journal of General Chemistry - Tiny nanostructured high-energy power sources based on the direct conversion of nuclear energy to electricity are developed for power supply of...