Add time:08/10/2019         Source:sciencedirect.com

TRIS(CYCLOPENTADIENYL)YTTERBIUM (cas 1295-20-1) (YbCp3) was isolated in solid argon matrices, and the monomeric structure of YbCp3 was studied by means of infrared spectroscopy and density functional theory calculations. Compared with our previous study on the structure of tris(cyclopentadienyl)scandium (ScCp3) isolated in solid argon matrices, it was apparent that the monomeric structure of YbCp3 has three η5-Cp bonds to the Yb atom, Yb(η5-Cp)3, analogous to the structure of matrix-isolated ScCp3. In addition, the stable dimer structures of YbCp3 were also predicted using density functional theory calculations. Furthermore, we produced the acetone adduct molecules of YbCp3 for the first time by co-condensing YbCp3 and an acetone/argon mixture gas on a cold substrate at 20 K. Molecules with YbO bonding between YbCp3 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 YbCp3 were deduced.

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