## Abstract The reactivity of Mo and Mo~2~ with ammonia, ethene, and propene molecules has been investigated by using Density Functional Theory. Different gradientβcorrected and hybrid exchangeβcorrelation functionals have been employed. Coordination modes, binding energies, geometrical structures,
95Mo NMR: hyperfine interactions in MoO3, MoS2, MoSe2 Mo3Se4, MoSi2 and Mo2C
β Scribed by T.J. Bastow
- Publisher
- Elsevier Science
- Year
- 1998
- Tongue
- English
- Weight
- 214 KB
- Volume
- 12
- Category
- Article
- ISSN
- 0926-2040
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β¦ Synopsis
95
Nuclear hyperfine interactions have been obtained by nuclear magnetic resonance NMR for Mo in a number of binary Ε½ . Mo compounds, both insulators and metals, which illustrate the interplay between nuclear quadrupole and chemical Knight shift terms. The insulating phases are characterised by nuclear spin lattice relaxation times greater than 100 s, demonstrating the ineffectiveness of indirect phonon Raman relaxation for these compounds.
π SIMILAR VOLUMES
The behavior of the K&02C18-NOCI, Moz(C,H3-02)4-NOCl, and [(CzH5).,N] &o&,-NOCI systems in ethyl acetate has been investigated. In every case, only products were found in which the molybdenummolybdenum multiple bonds of the starting complexes had been cleaved, After appropriate work-up of the K&02C1