The Kα transition in compounds of sulphur

Determination of Effective Atomic Charges from the Chemical Shifts of X-Ray Emission Lines

“…The values of Gianturco and Coulson 16 not plotted in Fig. 1 agree almost completely with the corresponding values of Lindgren for both Methods A and B.…”

“…34 This fact expresses itself also in the calculation on Cu complexes conducted by 16 1.7 Mter Lindgren B (Fig. 1 A comparison of this hypothesis with the charges obtained theoretically and x-ray spectroscopically shows marked agreement.…”

Charge effects on the radiative decay of x-ray ions. Model calculations for some transition metals

“…The lack of complete shielding by outer shells of the inner electrons does, in fact, show up when correct HE computations are performed and accounts for the differences in energy shifts observed when Is or 2p electrons are involved in, for example, sulfur compound emission lines. [11][12] The series of lines computed here for transition metals clearly exhibit such behavior, as already reported by the tables well their valence electrons fit the model of a point charge interaction. The removal of a 4s electron, for instance, shows very small "chemical" shifts along the whole series of metals examined.…”

Der Einfluß der chemischen Bindung auf die Röntgenemissions‐ und ‐absorptionsspektren

“…-I n neuerer Zeit bestimmten Blochin, Schuwajew und Gorski [42] die durch verschiedene Schwefelbindungen hervorgerufenen S Ku-Dublettverschiebungen und konnten damit zur Strukturaufkliirung organischer Schwefelverbindungen (u. a. von Methylenblau und von Rhodaniden) beitragen. -Mit Hilfe von Slater-Funktionen berechneten Coulson und Zauli [96] die Verschiebungen 6E des S Ka-Dubletts zu -0,26 (fur Schwefelatome der Ladung -2 und -l), +0,46 ( + l ) , +1,12 (+2), +2,14 (+3), +3,57 (+a), +5,15 (+5) und +6,94 eV (+6). Diese Werte genugen anniihernd der Gleichung 6E = n (n + 3)/8, in der n die Anzahl der Elektronen auf der M-Schale bedeutet.…”