Computer Science
Scientific paper
Jun 2010
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2010mss..conferg05l&link_type=abstract
"International Symposium On Molecular Spectroscopy, 65th Meeting, Held 21-25 June, 2010 at Ohio State University. http://molspec
Computer Science
Mini-Symposium: Metal Containing Molecules
Scientific paper
We report here single UV photon pulsed field ionization-zero electron kinetic energy (PFI-ZEKE) photoelectron spectra of jet-cooled Sc-[C6H6-n(CH3)n] (n = 2, 3, and 6) complexes and two-photon IR-UV photoionization spectra of Sc-[C6(CH3)6]. Adiabatic ionization energies and low-frequency metal-ligand and ligand-based vibrational modes are measured from the single-photon PFI-ZEKE spectra, and C-H stretching frequencies are determined from the two-photon IR-UV spectra. The ionization energies of these Sc complexes decrease with increasing methyl substations of hydrogen in the benzene ring. The C-H frequencies of hexamethylbenzene are significantly shifted due to Sc coordination. The ZEKE transitions of the di- and tri-methyl substituted complexes are sharp, while those of the hexa-methyl species are rather broad. The observed electronic transitions are 1A ← 2A for Sc-[1,4-C6H4(CH3)2] (C2), 1A^' ← 2A^' for Sc-[1,3,5-C6H3(CH3)3] (Cs), and ^1A_1 ← ^2A_1 for Sc-[C6(CH3)6] (C2v).
Kumari Sudesh
Lee Jung Sup
Lei Yuxiu
Yang Dong-Sheng
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