Mechanism of the decomposition of cumenyl hydroperoxide under the influence of complexes of divalent copper with o-phenanthroline

Russian Chemical Bulletin -     

The prism algorithm for two-electron integrals

A new approach to the evaluation of two-electron repulsion integrals over contracted Gaussian basis functions is developed. The new scheme encompasses 20 distinct, but interrelated, paths from simple shell-quartet parameters to the target integrals, and, for any given integral class, the path requiring the fewest floating-point operations (FLOPS ) is that used. Both theoretical (FLOP counting) and practical (CPU timing) measures indicate that the method represents a substantial improvement over the HGP algorithm.     

Highly polarized enamines. 2. Synthesis and investigation of the further amination of derivatives of α,α-DIAMINO-β-cyano-β-nitroethylene

Highly polarized enediamines of the a, -diamino--cyano--nitroethylene type have been obtained by the hydrolysis of 4-chloro-5-nitropyrimidines. Several chemical conversions of the enamines obtained have been studied, particularly leading to derivatives of 2-(cyanonitromethylene)imidazoline and -hexahydropyrimidine, and also to derivatives of N, N-bisvinylpiperazine and 7 methylene-1, 4-diazabicyclo(2.2. 1 ]heptane.Center for Drug Chemistry, All-Russian Chemical and Pharmaceutical Research Institute, Moscow 119815. Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 6, pp. 811–820, June, 1996. Original article submitted February 6, 1996.For Part 1, see [1].     

Electron-donor-acceptor complexing reagents in the analysis of pesticides. VI

Summary Pesticides may be detected following thin-layer chromatography by spraying the chromatogram with a reagent which forms a-complex with the pesticide. The effect of various pesticide structures and substituents in choosing a suitable-complexing reagent is discussed, as well as the effect of these factors in influencing the colour of the complex formed. Quantitative analyses may be performedin situ on the thin-layer chromatogram and positive identification of the-complexed compounds may be made by mass spectrometry. The procedure should be applicable for formulation analysis or studies of pesticide decomposition.

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Zusammenfassung Zum Nachweis von Pestiziden besprüht man deren Dünnschichtchromatogramme (DC) mit einem zur Bildung eines-Komplexes geeigneten Reagens. Die Bedeutung verschiedener Pestizidstrukturen und -Substituenten bei der Wahl eines solchen Reagens wurde erörtert; ebenso der Einfluß der genannten Faktoren auf die Farbe des Komplexes. Quantitative Bestimmungen lassen sich unmittelbar auf dem DC, Nachweise der einzelnen komplexierten Verbindungen mit Hilfe der Massenspektrometrie durchführen. Das Verfahren eignet sich zur Strukturanalyse sowie zur Untersuchung von Pestizidabbauproblemen.

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Issued as NRCC No. 13120.