MacKenzie K J, Meinhold R H, McGavin D G, Ripmeester J A, Moudrakovski I
New Zealand Institute for Industrial Research and Development, Lower Hutt.
Solid State Nucl Magn Reson. 1995 May;4(4):193-201. doi: 10.1016/0926-2040(94)00051-d.
The first 47,49Ti, 13C, 14N and 15N solid-state nuclear magnetic resonance (NMR) spectra of titanium carbide, nitride and a series of cubic carbonitrides have been obtained under both static and magic-angle spinning (MAS) conditions. The 15N samples were isotopically enriched by gas-solid exchange at 1000 degrees C in a closed system. The Ti spectra of the carbide and nitride are sharp, reflecting the well defined cubic symmetry of these compounds, but become considerably broadened in the carbonitride series, with the spectra being approximately the sum of TiC and TiN together with some small electric field gradient (EFG) effects. The resonance positions and widths of all the NMR spectra change as carbon is progressively replaced by nitrogen. A relationship is observed between the 13C chemical shift and the nitrogen content of the carbonitrides, suggesting a possible NMR method for estimating the composition of these compounds. Although electron paramagnetic resonance (EPR) spectra of all these compounds show typically metallic behaviour, the NMR spectra show few effects attributable to conduction electrons, probably due to the lack of s-orbital contributions to the conduction band.
已在静态和魔角旋转（MAS）条件下获得了碳化钛、氮化钛以及一系列立方碳氮化物的首批47,49Ti、13C、14N和15N固态核磁共振（NMR）谱。15N样品在封闭系统中于1000℃通过气固交换进行同位素富集。碳化物和氮化物的Ti谱很尖锐，反映出这些化合物具有明确的立方对称性，但在碳氮化物系列中谱线显著变宽，其谱线近似为TiC和TiN的总和以及一些小的电场梯度（EFG）效应。随着碳逐渐被氮取代，所有NMR谱的共振位置和宽度都会发生变化。观察到13C化学位移与碳氮化物中氮含量之间存在一种关系，这表明可能存在一种用于估算这些化合物组成的NMR方法。尽管所有这些化合物的电子顺磁共振（EPR）谱通常显示出金属行为，但NMR谱几乎没有显示出可归因于传导电子的效应，这可能是由于导带中缺乏s轨道贡献。
