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Studies on primary hydrated complexes of the first transition period metal ions by the extended Hückel method

✍ Scribed by D.A. Zhogolev; B.Kh. Bunyatyan; V.B. Volkov; K.B. Yatsimirskii

Publisher: Elsevier Science
Year: 1974
Tongue: English
Weight: 654 KB
Volume: 29
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(74)85079-7

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✦ Synopsis

The ene@s of fo;maIion for the aqnocomplexcs of the 3d-transi:ion metal ions with different coordination numbers, II, were czlculatzd using sevcrnl s&s of Tzrametcrs. It is con:luded that, unlike alkali metal and halogen ions, the ions under study display tendency tcward a.hi&er energetic effect in the formation of complexes with n = 4 compared :o octnhedrill and cubic complexes.

:-,!n re<ent ye+ studies on primary hydration using quantumrmechanical cslcuiations fo~model systems

Wit3 the EHM, as with other semi-empirical meth-

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## Abstract The regularities of the formation of (__N__ + 2)‐atomic clusters obtained by the growth of (__N__ + 1)‐atomic clusters and the distribution of the (__N__ + 2)‐atomic clusters according to their stability are studied. The most stable (__N__ + 2)‐atomic cluster is not always obtained from