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The host/guest clathrate system [(ZnI2)6(ZnQ)]/[Pn4Qx] (Pn=P, As; Q=S, Se). A qualitative approach to structures, identification and synthesis

URN to cite this document: urn:nbn:de:bvb:355-opus-3450

Hong, Jung Hoon (2005) The host/guest clathrate system [(ZnI2)6(ZnQ)]/[Pn4Qx] (Pn=P, As; Q=S, Se). A qualitative approach to structures, identification and synthesis. PhD, Universität Regensburg

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Abstract (English)

The host/guest clathrate systems - [(ZnI2)6(ZnQ)]/[Pn4Qx] (Pn = P, As ; Q = S, Se) are obtained by one-step or two-step reaction of stoichiometric amounts of ZnI2, Pn, and Q or varying Q, I amounts in evacuated silica ampoules. The compounds consist of monomeric alpha-Pn4Q3 and alpha-Pn4Q4 cage molecules which are separated by a cubic host lattice of [(ZnI2)6(ZnQ)]. This contains almost spherical cavities about 10 Anstrom diameter. [(ZnI2)6(ZnQ)]/[Pn4Qx] crystallize in the cubic system, space group F-43c(No. 219) with Z = 8. Especially the lattice constants are slightly varied by initial Q rich condition. Pn4Qx molecules which have C3v and D2d point group symmetry respectively, are embedded into [(ZnI2)6(ZnQ)] host 3D framework, are located on the center of LJD (Lennard-Jones-Devonshire) potential field in a disordered manners. Between host lattice and guest molecule no chemical bond is observed from the structural data. 31P-MAS solid state NMR spectra show the component ratios of disordered chalcogenide molecules. Also, solid state FT-ir and FT-Raman spectra were measured and discussed.

Translation of the abstract (German)

Die host/guest-Clathratsysteme [(ZnI2)6(ZnQ)]/[Pn4Qx] (Pn=P, As; Q=S,
Se) werden erhalten aus ein- oder zweistufigen Reaktionen der
stöchiometrischen Mengen von ZnI2, Pn und Q oder variablen Mengen an Q,
I in evakuierten Quarzglasampullen. Die Verbindungen bestehen aus
monomeren alpha-Pn4Q3 und alpha-Pn4Q4 Käfigmolekülen, die durch ein
kubisches Gast-Gitter aus [(ZnI2)6(ZnQ)] voneinander getrennt sind.
Dieses enthält annähernd sphärische Hohlräume mit einem Durchmesser von
etwa 10 Anstrom. [(ZnI2)6(ZnQ)]/[Pn4Qx] kristallisiert im kubischen
Kristallsystem in der Raumgruppe F-43c (Nr. 219) mit Z=8. Insbesondere
die Gitterkonstanten verändern sich leicht bei Q-reichen
Anfangsbedingungen. Pn4Qx Moleküle, die C3v- bzw. D2d-Symmetrie
besitzen, sind in das dreidimensionale [(ZnI2)6(ZnQ)] Wirtsmatrix
eingebettet und sitzen fehlgeordnet in den Zentren des LJD
(Lennard-Jones-Devonshire) Potentialfelds. Die Strukturdaten zeigen
keine chemischen Bindungen zwischen dem Wirtsgitter und den
Gastmolekülen. 31P-MAS Festkörper-NMR-Spektren zeigen die
Intensitätsverhältnisse der fehlgeordneten Gastmoleküle. Zusätzlich
wurden Festkörper-FT-IR- und -FT-Raman-Spektren aufgenommen und diskutiert.

Item Type:	Thesis of the University of Regensburg (PhD)
Referee:	Prof. Dr. Arno Pfitzner
Date of exam:	30 January 2004
Institutions:	Chemistry and Pharmacy > Institut für Anorganische Chemie > Chair Prof. Dr. Arno Pfitzer
Keywords:	Clathrate , Clathrate , Host , guest , phosphorus chalcogenide , zinc iodide
Subjects:	500 Science > 540 Chemistry & allied sciences
Status:	Published
Refereed:	Yes, this version has been refereed
Created at the University of Regensburg:	Yes
Owner:	Universitätsbibliothek Regensburg
Deposited On:	27 Oct 2009 07:48
Last Modified:	07 Nov 2012 11:15
Item ID:	10245

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