The reaction of a methane molecule with a lithium-doped magnesium oxide catalyst (Li/MgO) containing small amounts of Znzt cations (Zn/Li/MgO) was theoretically studied using a modified MIND0/3 method and applying a supermolecular approach. The surface of magnesium oxide (MgO) was modelled by a MgX2
✦ LIBER ✦
The adsorption of methyl, acetylide, chlorine and phosphorus trifluoride on zinc oxide: A quantum-chemical study
✍ Scribed by JoséA. Rodriguez
- Publisher
- Elsevier Science
- Year
- 1989
- Weight
- 58 KB
- Volume
- 222
- Category
- Article
- ISSN
- 0167-2584
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The 15N NMR spectra of a series of bis(imino)phosphoranes X-P(=NR)=NR" [X = tBu, NHtBu, OMes\*, P(tBu,), StBu (2a-e)], Br-P(=NMes\*) (2f) and Mes\*(Me,Si)N-P(=NtBu)=NSiMe, (2g) were measured and assigned using a combination of 'H-and ,'P-based INEPT techniques. The data reveal a close correlation be