From a 44-electron to a 48-electron trinuclear phosphido platinum complex: density functional study of [{(CF3)(PH3)Pt (mu-PH2)(mu-H)}(2)Pt] and [{(CF3)(PH3)Pt(mu-PH2)(mu-I)}(2)Pt] model compounds

 
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2005 (EN)
From a 44-electron to a 48-electron trinuclear phosphido platinum complex: density functional study of [{(CF3)(PH3)Pt (mu-PH2)(mu-H)}(2)Pt] and [{(CF3)(PH3)Pt(mu-PH2)(mu-I)}(2)Pt] model compounds (EN)

Ara, I. (EN)

Πανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείας (EL)
Ara, I. (EN)

Treatment of{{(C6F5)(PPh3)Pt(mu-PPh2))(mu-H)}(2)Pt] (1) with I-2 results in a complicated reaction from which [{(C6F5)(PPh3)Pt(mu-PPh2)(mu-1)}(2)Pt] (2) is obtained. The X-ray structure and F-19 and P-31 NMR spectra are given. Density functional theory (DFT) at the B3LYP level, using the LANL2DZ basis set, provides a satisfactory description of structural, bonding, electronic and related properties of [{(CF3)(PH3)Pt(mu-PH2)(mu-H)}(2)Pt] and [{(CF3)(PH3)Pt(mu-PH2)(mu-1)}(2)Pt} model compounds. The results unambiguously justify the predictions of the through-ring bonding required by the number of framework electrons and threw light on the bonding mechanism in the "{(Pt(mu-X)(mu-PH2)}(2)Pt" (X=H, 1) nuclear framework of the compounds. (c) 2004 Elsevier B.V. All rights reserved. (EN)

phosphido (EN)

Πανεπιστήμιο Ιωαννίνων (EL)
University of Ioannina (EN)

Inorganica Chimica Acta (EN)

English

2005

<Go to ISI>://000227667900006



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