Photodissociation and theoretical studies of the AU1 -(C5H5N) complex

Hsu Chen Hsu, Fang Wei Lin, Chun Chia Lai, Po Hua Su, Chen Sheng Yeh

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19 Citations (Scopus)

Abstract

Laser vaporization combined with a supersonic molecular beam was employed to generate and study the Au(C5H5N)+ complex for the first time. On the basis of the ionization energies (IE) between gold and pyridine, the Au(C5H5N)+ species is viewed as being a Au+ -C5H5N species. Photodissociative charge transfer was observed with exclusive C5H5N+ (pyridine) formation. The photofragmentation spectrum of Au+(C5H5N) was scanned by monitoring the pyridine fragments. A structureless continuum spectrum was observed and the onset of C5H5N+ appearance indicates the upper limit on the Au+ -C5H5N bond strength to be 59.6 kcal mol-1 Ab initio calculations at the MP2 level were employed to optimize the geometries of the gold complexes and binding energies were obtained using CCSD(T) single point calculations. Besides from the C2v structure observed in Cu+ and Ag+ complexes, the theoretical results yielded a second isomer with C1 symmetry which is 24 kcal mol-1 less stable in energy than the C2v isomer.

Original languageEnglish
Pages (from-to)481-484
Number of pages4
JournalNew Journal of Chemistry
Volume26
Issue number4
DOIs
Publication statusPublished - 2002 Jan 1

All Science Journal Classification (ASJC) codes

  • Catalysis
  • Chemistry(all)
  • Materials Chemistry

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