Reactivities of metallocarbohedrenes. FTICR studies of V[sub 2]C[sub 12][sup +] in the gas phase

Journal Article · Wed Sep 21 04:00:00 EDT 1994 · Journal of the American Chemical Society; (United States)

DOI:https://doi.org/10.1021/ja00098a049· OSTI ID:6954418

Yeh, C S; Afzaal, S; Lee, S A; Byun, Y G; Freiser, B S ^[1]

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1. Purdue Univ., West Lafayette, IN (United States)

A new class of transition metal-carbon clusters named [open quotes]metallocarbohedrenes[close quotes] or [open quotes]met-cars[close quotes] with the stoichiometry M[sub 8]C[sub 12](M = Ti, V, Zr and Hf) has become the focus of intense investigation. In this communication, we report preliminary results on the reactivity of V[sub 8]C[sub 12][sup +] with O[sub 2] and provide evidence for the existence of two different metal atom sites consistent with the D[sub 2d] or T[sub d] structures. All of the experiments were performed on an Extrel FTMS-2000 dual-cell Fourier transform ion cyclotron resonance (FTICR) mass spectrometer combined with a compact supersonic source developed by Smalley and co-workers. The laser vaporization technique is used to generate metal-carbon clusters in a manner similar to that of Castleman and co-workers. The results presented here represent the first evidence of the high combustibility of V[sub 8]C[sub 12][sup +] in the presence of oxygen and lend further support to the T[sub d] or D[sub 2d] structure predicted by theory. The reactivity observed is also consistent with the predicted electronic structure indicating that V[sub 8]C[sub 12][sup +] is a high-spin species. 34 refs., 2 figs.

• DOE Contract Number: FG02-87ER13766
• OSTI ID: 6954418
• Journal Information: Journal of the American Chemical Society; (United States), Journal Name: Journal of the American Chemical Society; (United States) Vol. 116:19; ISSN JACSAT; ISSN 0002-7863
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400102 -- Chemical & Spectral Procedures
400201* -- Chemical & Physicochemical Properties
ACETONITRILE
AROMATICS
BENZENE
CATIONS
CHARGED PARTICLES
CHEMICAL REACTIONS
COMPLEXES
ELEMENTS
HYDROCARBONS
HYDROGEN COMPOUNDS
IONS
LASERS
MASS SPECTROSCOPY
MOLECULAR STRUCTURE
NITRILES
NONMETALS
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
ORGANOMETALLIC COMPOUNDS
OXYGEN
OXYGEN COMPOUNDS
SOLID CLUSTERS
SPECTROSCOPY
TRANSITION ELEMENT COMPLEXES
VANADIUM COMPLEXES
WATER