15min:

YUXIU LEI, JUNG SUP LEE AND DONG-SHENG YANG, Department of Chemistry, University of Kentucky, Lexington, KY 40506-0055.

The complexes of Sc_n(C₆H₆)_m (n =1, 2; m =1-3, n\leq m) and Sc(C₁₂H₁₀) were synthesized in a laser-vaporization metal cluster beam source. The C-H stretching frequencies of these complexes were measured with IR-UV resonant two-photon ionization spectroscopy. The experimental C-H stretching frequencies were compared with those of the free ligands and with the B3LYP/6-311+G(d,p) calculations. From these comparisons, the ground electronic states were determined to be ⁴A₁ (C_6v) for the half-sandwich Sc(C₆H₆), ²B_3g(D_2h) for the sandwich Sc(C₆H₆)₂ , ¹A(D₂) for the double sandwich Sc₂(C₆H₆)₃ and ²B₁(C_2v) for the clamshell Sc(C₁₂H₁₀). The conclusions from this work are in consistent with the previous ZEKE spectroscopic studies.^,