J. Miyazaki, N. Sudo, Y. Yamada
Aug 1, 2015
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0
Influential Citations
3
Citations
Journal
Journal of Molecular Spectroscopy
Abstract
Abstract Tris(cyclopentadienyl)ytterbium (YbCp 3 ) was isolated in solid argon matrices, and the monomeric structure of YbCp 3 was studied by means of infrared spectroscopy and density functional theory calculations. Compared with our previous study on the structure of tris(cyclopentadienyl)scandium (ScCp 3 ) isolated in solid argon matrices, it was apparent that the monomeric structure of YbCp 3 has three η 5 -Cp bonds to the Yb atom, Yb(η 5 -Cp) 3 , analogous to the structure of matrix-isolated ScCp 3 . In addition, the stable dimer structures of YbCp 3 were also predicted using density functional theory calculations. Furthermore, we produced the acetone adduct molecules of YbCp 3 for the first time by co-condensing YbCp 3 and an acetone/argon mixture gas on a cold substrate at 20 K. Molecules with Yb O bonding between YbCp 3 and acetone were detected in low-temperature acetone/argon matrices. By using natural bond orbital (NBO) and curve fitting analysis, the structures of the acetone adduct molecules of YbCp 3 were deduced.