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• W2061666512 abstract "Gas-phase metal carbonyl cations of the vanadium-group metals (V+, Nb+, Ta+) were produced in a molecular beam by laser vaporization and then mass-analyzed and size-selected in a time-of-flight spectrometer and studied with IR laser photodissociation spectroscopy in the carbonyl-stretching region. The abundances in the mass spectra, the fragmentation patterns, and the IR spectra provided a combined approach that revealed the coordination numbers in these systems. Although seven-coordinate structures would have 18 electrons in each case, V(CO)6+ was found to be formed rather than V(CO)7+. Nb+ formed both six- and seven-coordinate species, while Ta+ formed only the Ta(CO)7+ complex. Density functional theory computations were used to predict the IR spectra for these systems, which are dramatically different for the six- and seven-coordinate structures and in excellent agreement with the measurements. V(CO)6+ and Nb(CO)6+ have structures slightly distorted from octahedral, while Nb(CO)7+ and Ta(CO)7+ have C3v capped octahedral structures." @default.
• W2061666512 created "2016-06-24" @default.
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• W2061666512 date "2009-06-12" @default.
• W2061666512 modified "2023-09-30" @default.
• W2061666512 title "Seven-Coordinate Homoleptic Metal Carbonyls in the Gas Phase" @default.
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• W2061666512 doi "https://doi.org/10.1021/ja903983u" @default.
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