TY - JOUR
T1 - Metal-ligand interaction of Ti-C 6 H 6 complex size-selected by a 2-m long electrostatic hexapole field
AU - Imura, Kohei
AU - Ohoyama, Hiroshi
AU - Kasai, Toshio
N1 - Funding Information:
This work has been partially supported by a Grant in Aid for Scientific Research from the Japanese Ministry of Education, Science, and Culture. K.I. thanks the Japanese Society for the Promotion of Science for a JSPS Research Fellowship.
PY - 2003/2/7
Y1 - 2003/2/7
N2 - Supersonic beam of size-selected Ti-C 6 H 6 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-C 6 H 6 complex has nearly C 6v 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 C 6v symmetric in accordance with the experimental result. The calculation also suggests that charge transfer interaction between Ti atom and C 6 H 6 plays a central role to stabilize the complex.
AB - Supersonic beam of size-selected Ti-C 6 H 6 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-C 6 H 6 complex has nearly C 6v 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 C 6v symmetric in accordance with the experimental result. The calculation also suggests that charge transfer interaction between Ti atom and C 6 H 6 plays a central role to stabilize the complex.
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U2 - 10.1016/S0009-2614(02)01968-1
DO - 10.1016/S0009-2614(02)01968-1
M3 - Article
AN - SCOPUS:0037423111
SN - 0009-2614
VL - 369
SP - 55
EP - 59
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 1-2
ER -