Metal-ligand interaction of Ti-C6H6 complex size-selected by a 2-m long electrostatic hexapole field

Kohei Imura, Hiroshi Ohoyama, Toshio Kasai

Research output: Contribution to journalArticle

18 Citations (Scopus)

Abstract

Supersonic beam of size-selected Ti-C6H6 metal-ligand binary complex was generated by a laser evaporation method followed by the size selection with 2-m long electrostatic hexapole field. The dependence of the beam intensity upon the hexapole field strength was measured in order to determine permanent dipole moment and complex symmetry. We find that the structure of Ti-C6H6 complex has nearly C6v symmetry and its electric dipole moment is 2.4 ± 0.3 D. The calculation with use of density functional theory substantiated its optimized structure as C6v symmetric in accordance with the experimental result. The calculation also suggests that charge transfer interaction between Ti atom and C6H6 plays a central role to stabilize the complex.

Original languageEnglish
Pages (from-to)55-59
Number of pages5
JournalChemical Physics Letters
Volume369
Issue number1-2
DOIs
Publication statusPublished - 2003 Feb 7
Externally publishedYes

Fingerprint

dipole moments
Metals
Electric fields
Electric dipole moments
Ligands
ligands
electric fields
Dipole moment
symmetry
electric moments
metals
electric dipoles
Density functional theory
Charge transfer
field strength
Evaporation
charge transfer
evaporation
interactions
density functional theory

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics

Cite this

Metal-ligand interaction of Ti-C6H6 complex size-selected by a 2-m long electrostatic hexapole field. / Imura, Kohei; Ohoyama, Hiroshi; Kasai, Toshio.

In: Chemical Physics Letters, Vol. 369, No. 1-2, 07.02.2003, p. 55-59.

Research output: Contribution to journalArticle

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