Infrared spectroscopy and binding geometries of oxygen atoms bound to cationic tantalum clusters
A Fielicke, P Gruene, M Haertelt… - The Journal of …, 2010 - ACS Publications
The Journal of Physical Chemistry A, 2010•ACS Publications
The binding of isolated oxygen atoms to small tantalum clusters is investigated using
vibrational spectroscopy. Infrared spectra of Ta n O0, 1, 2+(n= 6− 11) are reported in the
range of 90− 1100 cm− 1, comprising both the internal cluster modes and the adatom's
vibrations. The vibrational spectra are compared to the results of DFT calculations for n= 6−
8, which show that the oxygen atoms bind preferentially as 2-fold bridging adatoms. Addition
of one or two O atoms induces only minor distortions of the underlying metal cluster core.
vibrational spectroscopy. Infrared spectra of Ta n O0, 1, 2+(n= 6− 11) are reported in the
range of 90− 1100 cm− 1, comprising both the internal cluster modes and the adatom's
vibrations. The vibrational spectra are compared to the results of DFT calculations for n= 6−
8, which show that the oxygen atoms bind preferentially as 2-fold bridging adatoms. Addition
of one or two O atoms induces only minor distortions of the underlying metal cluster core.
The binding of isolated oxygen atoms to small tantalum clusters is investigated using vibrational spectroscopy. Infrared spectra of TanO0,1,2+ (n = 6−11) are reported in the range of 90−1100 cm−1, comprising both the internal cluster modes and the adatom’s vibrations. The vibrational spectra are compared to the results of DFT calculations for n = 6−8, which show that the oxygen atoms bind preferentially as 2-fold bridging adatoms. Addition of one or two O atoms induces only minor distortions of the underlying metal cluster core.
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