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Electronic structure considerations for methane activation by third-row transition-metal ions. (Reannouncement with new availability information) Technical report

Technical Report ·
OSTI ID:189786
Methane is spontaneously dehydrogenated in the gas phase by many metal ions of the 5d transition series. In most cases, the MCH2+ produced undergoes further reactions, leading eventually to products such as WC8Hl6+. 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.
Research Organization:
California Inst. of Tech., Pasadena, CA (United States). Div. of Chemistry and Chemical Engineering
OSTI ID:
189786
Report Number(s):
AD-A--258892/9/XAB; CNN: Contract N00014-89-J-3198
Country of Publication:
United States
Language:
English

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