Tuesday, March 7, 2017

Abstract-Optical and vibrational properties of [Pt@Pb12]2-, [Ni@Pb12]2- and [Ni@Pb10]2- Zintl ion clusters

  • Asude Cetin,

  • Okan Esenturk

Optical and vibrational properties of Pt and Ni centered Pb Zintl ion clusters have been investigated via UV-Vis and FT-IR spectroscopies. Computational studies performed to better interpret the experimental data due to lack of any FT-IR and UV-Vis studies on these clusters or similar ones in literature. UV-Vis analyses showed an asymmetric broad absorption band with a maximum at 265 nm for both Pt and Ni centered Pb clusters. FTIR analysis demonstrated that vibrational modes of the clusters appear at low frequency (Terahertz) range of the spectrum. Vibrational modes of [Pt@Pb12]2- and [Ni@Pb12]2- are observed at 74 cm-1 and the ones of [Ni@Pb10]2- appear at 86, 143 and 200 cm-1. Similarities between simulated and experimental spectra strongly support isolated cluster behavior. [Pt@Pb12]2-, [Ni@Pb12]2-, and [Ni@Pb10]2- are the only Zintl ion clusters which have been characterized spectroscopically to elucidate their optical and vibrational properties with UV-Vis and FTIR analyses.

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