Electronic structure considerations for methane activation by third-row transition-metal ions

Journal Article · Thu Oct 17 04:00:00 EDT 1991 · Journal of Physical Chemistry; (United States)

DOI:https://doi.org/10.1021/j100174a057· OSTI ID:7273992

Irikura, K K; Beauchamp, J L ^[1]

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1. California Inst. of Tech., Pasadena (United States)

Methane is spontaneously dehydrogenated in the gas phase by many metal ions of the 5d transition series. In most cases, the MCH{sub 2}{sup +} produced undergoes further reactions, leading eventually to products such as WC{sub 8}H{sub 16}{sup +}. The reactivity of the third-row transition-metal ions, both bare and with simple ligands, may be explained in terms of electronic structure considerations. Promotion energy, exchange energy, and the relative and absolute sizes of the valence s and d orbitals all appear to be important.

• OSTI ID: 7273992
• Journal Information: Journal of Physical Chemistry; (United States), Journal Name: Journal of Physical Chemistry; (United States) Vol. 95:21; ISSN 0022-3654; ISSN JPCHA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
ALKANES
BINDING ENERGY
CHEMICAL ACTIVATION
CHEMICAL REACTION KINETICS
CHEMICAL REACTIONS
DATA
DEHYDROGENATION
ELECTRONIC STRUCTURE
ELEMENTS
ENERGY
EXPERIMENTAL DATA
GOLD
HAFNIUM
HYDROCARBONS
INFORMATION
IRIDIUM
KINETICS
LANTHANUM
MATHEMATICAL MODELS
MERCURY
METALS
METHANE
NUMERICAL DATA
ORGANIC COMPOUNDS
OSMIUM
PLATINUM
PLATINUM METALS
RARE EARTHS
REACTION KINETICS
RHENIUM
TANTALUM
THEORETICAL DATA
TRANSITION ELEMENTS
TUNGSTEN