Determination of cadmium by atomic-fluorescence and atomic-absorption spectrophotometry

The adaptation of a conventional atomic-absorption/flameemission spectrophotometer to the measurement of atomic-fluorescence in an air-acetylene flame is described. The determination of cadmium on the same instrument by both atomic-fluorescence and absorption shows that, even with a rather simple and inefficient means of exciting and measuring fluorescence, results can be obtained which indicate that the fluorescence technique is considerably more sensitive than atomic-absorbance and is equally free from inter-element interference.     

Non self-consistent field theory

Roothaan's SCF method [2] is reformulated so that two non-SCP methods are developed to solve the eigenequation. The results from these methods can be used as starting eigenfunctions for Roothaan's SCF method.

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Zusammenfassung Die self-consistent field Methode von Roothaan [2] wird neu formuliert: dabei werden zwei Nicht-SCF Methoden zur Lösung der Eigenwertgleichung entwickelt. Deren Resultate können als Anfangsfunktionen bei Rechnungen mit der SCF-Methode von Roothaan benutzt werden.

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Résumé La méthode SCF de Roothaan [2] est reformulée en développant deux méthodes non-SCF pour la solution de l'équation aux valeurs propres. Les résultats de ces deux méthodes peuvent être utilisées comme fonctions de départ pour la méthode SCF de Roothaan.

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The title Theoretical Chemistry has been transferred to the Division of Physical Chemistry.     

Synthesis and Molecular and Crystalline Structure of Polyfluoro-1,3-Diazafluorenes

Reactions of 2-amino-3-(1-imino-2,2,2-trifluoroethyl)hexafluoro-1H-indene with carboxylic acid anhydrides and chlorides afforded 2-alkyl(aryl)-4-trifluoromethyl-5,6,7,8,9,9-hexafluoro-1,3-diazafluorenes. The molecular and crystalline structure of the products was studied by NMR spectroscopy and X-ray diffraction. 5,6,7,8,9,9-Hexafluoro-2-phenyl-4-trifluoromethyl-1,3-diazafluorene in crystal gives rise to infinite ladder chains via -stacking interaction between the benzene ring of one molecule and tetrafluorobenzene fragment of the other.     

Synthesis and Structure of Tri-p-tolylantimony Ditosylate

Tri-p-tolylantimony reacts with p-toluenesulfonic acid in the presence of benzoyl peroxide (1 : 2 : 1 molar ratio) in ether to give tri-p-tolylantimony ditosylate in 91% yield. According to X-ray diffraction data, the central antimony atom has the trigonal bipyramidal coordination with the axial location of the tosyl groups. The Sb-O bond lengths are 2.07(2) and 2.17(2) Å; Sb-C bond lengths, 2.08(3), 2.13(3), and 2.13(3) Å; and OSbO bond angle, 175.6(7)°.     

Natural radionuclide-free phosphoric acid production

High-uranium phosphate rock from Itataia, Brazil, was milled for wet-process phosphoric acid production using the dihydrate method. Uranium contained in the phosphoric acid was recovered by solvent extraction. The distribution of long-lived natural radionuclides of the ²³⁸U and ²³²Th decay series involved in these operations was evaluated. ²²⁶Ra, ²²⁸Ra and ²¹⁰Pb were found to predominate in the phosphogypsum, while ²²⁸Th, ²³⁰Th and ²³²Th in the uranium-free phosphoric acid. Thorium is removed from the phosphoric acid by solvent extraction to produce a NORM-free phosphoric acid.     

Magic numbers of large rare gas clusters

The superior stability of closed-shell icosahedral structures is evident from size distributions of argon, krypton and xenon cluster ions in the size range 100?n?1000.