Structural isomers and reactivity for [Rh.sub.6] and [Rh.sub.6.sup.+]
Article Abstract:
A study examines the structure, energetics, and interconversion of isomers of [Rh.sub.6] and [Rh.sub.6.sup.+] by using density functional theory with Gaussian basis sets, using guess structures derived from basin-hopping simulations, and obtained by using the Sutton-Chen potential. Results suggest two low-lying structures as possible structural isomers, namely, a square bipyramid and a trigonal prism.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Covalent linking of near-infrared luminescent ternary lanthanide (E[r.sup.3+], N[d.sup.3+], Y[b.sup.3+]) complexes on functionalized mesoporous MCM-41 and SBA-15
Article Abstract:
The near-infrared (NIR) luminescent lanthanide ions, such as Er(III), Nd(III), and Yb(III) were used in the optical communications or laser systems. Upon excitation of the ligands absorption bands, all these materials show the characteristic NIR luminescence of the corresponding lanthanide ions through the intramolecular energy transfer from the ligands to the lanthanide ions.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Comprehensive interpretation of a substitution effect on an order-disorder phase transition in [A.sub.1-x][M.sub.x][W.sub.2][O.sub.8-y] (A = Zr, Hf; M = Trivalent cations) and other Zr[W.sub.2][O.sub.8]-based solid solutions
Article Abstract:
The synthesis of [A.sub.1-x][M.sub.x][W.sub.2][O.sub.8-y] solid solutions up to x = 0.04 based on a negative thermal expansion material Hf[W.sub.2][O.sub.8] by using a solid state reaction method is presented.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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