## Abstract The ^13^C and ^15^N CPMAS NMR spectra of 18 pyrazoles substituted at position 1 by dinitrophenyl and trinitrophenyl (picryl) groups have been recorded. To help in the assignments, some of these compounds were studied in DMSOβ__d__~6~ solution. Phenomena such as the conformation of the _
The 15N NMR Knight Shift and Electronic Structure of SrMoO2.6N0.4 in the Pauli Paramagnetic State
β Scribed by Xinhua Zhao; H.A. Eick
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 212 KB
- Volume
- 112
- Category
- Article
- ISSN
- 0022-4596
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β¦ Synopsis
The temperature-independent part (\left(K_{0}\right)) of the Knight shift, (K), of (\mathrm{SrMoO}{2.6} \mathrm{~N}{0.4}) in the Pauli paramagnetic state as determined from the ({ }^{15} \mathrm{~N}) NMR spectrum is (K_{0}=(2.87 \pm 0.01) \times 10^{-4}), with respect to the external solid reference, (\left({ }^{15} \mathrm{NH}{4}\right){2} \mathrm{SO}{4}). The fit of the spin-lattice relaxation time, (T{1}), to the Korringa relation confirms that nuclear spin-electron spin is the dominant relaxation mechanism. The probability density of conduction electrons, (P_{f}=) (0.066 \AA^{-3}), and the density of electron states per unit volume per unit energy for spin-up and -down electrons at the Fermi surface, (\rho^{ \pm}\left(f_{0}\right)=0.87\left(\mathrm{cV} \lambda^{3}\right)^{-1}), were deduced from the experimental results. By combining these data with the magnetic susceptibility an electronic structure model of (\mathrm{SrMoO}{2.6} \mathrm{~N}{0.4}) is proposed. 1994
Academic Press, tic.
π SIMILAR VOLUMES
type nonbonding orbitals on heavy halogen or related substituents are largely responsible for significantly shielding spinαorbit-induced Ε½ . heavy-atom effects on nuclear magnetic resonance NMR chemical shifts of the neighboring atoms. This suggestion has been examined and confirmed by Ε½ . 13 densi