Experimental and theoretical studies of metal cation-pyridine complexes containing Cu and Ag

Yuh Sheng Yang, Wen Yi Hsu, Hsiu Fang Lee, Ya Chien Huang, Chen Sheng Yeh, Ching Han Hu

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Abstract

Photodissociative experiments were performed on Cu+-C5H5N and Ag+-C5H5N complexes in the gas phase. The dissociative ligand-to-metal charge-transfer fragments, pyridine+, were observed for both complexes. Photodissociation spectra were recorded as a function of laser wavelength. Two continuous, structureless bands were investigated in each complex. Because of the low-energy 2D state of the Cu atom, the Cu+ pyridine dissociative process is more complicated. Several possible mechanisms for this process have been discussed. The binding energies were determined experimentally to be 65.5 and 45.2 kcal/mol for Cu+ -pyridine and Ag+-pyridine, respectively. M+-C5H5N (M = Cu or Ag) complexes also were studied theoretically using the HF, MP2, and B3LYP methods. All complexes under study show C2v, symmetry. The binding energies predicted from the theoretical calculations were less than the experimental values, which were derived from the onset of the charge-transfer appearance combined with the IP (ionization potential). The complexes containing Cu+ and Ag+ are characterized predominantly by electrostatic interactions.

Original languageEnglish
Pages (from-to)11287-11292
Number of pages6
JournalJournal of Physical Chemistry A
Volume103
Issue number51
DOIs
Publication statusPublished - 1999 Dec 23

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Cations
pyridines
Metals
cations
Binding energy
metals
Charge transfer
binding energy
charge transfer
Photodissociation
Ionization potential
Coulomb interactions
ionization potentials
photodissociation
Electron energy levels
Gases
fragments
electrostatics
vapor phases
Ligands

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry

Cite this

Yang, Yuh Sheng ; Hsu, Wen Yi ; Lee, Hsiu Fang ; Huang, Ya Chien ; Yeh, Chen Sheng ; Hu, Ching Han. / Experimental and theoretical studies of metal cation-pyridine complexes containing Cu and Ag. In: Journal of Physical Chemistry A. 1999 ; Vol. 103, No. 51. pp. 11287-11292.
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Experimental and theoretical studies of metal cation-pyridine complexes containing Cu and Ag. / Yang, Yuh Sheng; Hsu, Wen Yi; Lee, Hsiu Fang; Huang, Ya Chien; Yeh, Chen Sheng; Hu, Ching Han.

In: Journal of Physical Chemistry A, Vol. 103, No. 51, 23.12.1999, p. 11287-11292.

Research output: Contribution to journalArticle

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AU - Yang, Yuh Sheng

AU - Hsu, Wen Yi

AU - Lee, Hsiu Fang

AU - Huang, Ya Chien

AU - Yeh, Chen Sheng

AU - Hu, Ching Han

PY - 1999/12/23

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