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The Influence of Unsaturated Hydrocarbon Ligands on the Stabilization of Platinum Tetramer

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Abstract

In the present study, Pt4(CH)n (1 ≤ n ≤ 7) and Pt4(benzene)2 metalorganic complexes have been investigated by performing density functional theory within spin polarized local density approximation, generalized gradient approximation and hybrid exchange correlation functionals in terms of the geometric properties, stability and energetics, electronic properties and chemical reactivity indexes. Locally stable isomers are distinguished from transition states by vibrational frequency analysis. Our calculations indicate that Pt4(CH)4 and Pt4benzene metal hydrocarbon complexes are the most stable structures among the studied species.

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Authors and Affiliations

  1. Physics Engineering Department, Gaziantep University, Gaziantep, Turkey

    Mikail Aslan & Zihni Öztürk

  2. Electrical-Electronics Engineering Department, Zirve University, Gaziantep, Turkey

    Mikail Aslan

  3. Mechanical Engineering Department, Mevlana (Rumi) University, Konya, Turkey

    Ali Sebetci

Authors
  1. Mikail Aslan
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  2. Zihni Öztürk
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  3. Ali Sebetci
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Correspondence to Ali Sebetci.

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Aslan, M., Öztürk, Z. & Sebetci, A. The Influence of Unsaturated Hydrocarbon Ligands on the Stabilization of Platinum Tetramer. J Clust Sci 25, 1187–1201 (2014). https://doi.org/10.1007/s10876-014-0699-z

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  • DOI: https://doi.org/10.1007/s10876-014-0699-z

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