Zeyer M, Montagne L, Jaeger C
Institut für Optik und Quantenelektronik, Friedrich-Schiller-Universitä Jena, Max-Wien-Platz 1, D-07743, Jena, Germany.
Solid State Nucl Magn Reson. 2003 May;23(3):136-44. doi: 10.1016/S0926-2040(03)00012-2.
Rotational echo double resonance (REDOR) of spin-12 nuclei is an extremely useful tool for the determination of distances in solids as well as of relative orientations of chemical shift and dipole tensors. We present the corresponding version for measuring the relative orientation of electric quadrupole and dipole tensors and demonstrate its applicability for non-bridging oxygens in phosphate glasses using 17O-[31P] REDOR NMR. The orientational information is found in the changes of the second-order quadrupole patterns as a function of the echo delay. Results and numeric simulations are presented for 17O-[31P] REDOR NMR of 17O-enriched sodium phosphate glasses. For non-bridging oxygens, the symmetric quadrupole tensor is found to be aligned along the phosphorus-oxygen bond. The distance between P and the non-bridging oxygen is calculated for two glasses of different compositions.
自旋为1/2的原子核的旋转回波双共振（REDOR）是确定固体中距离以及化学位移张量和偶极张量相对取向的极其有用的工具。我们给出了用于测量电四极张量和偶极张量相对取向的相应版本，并使用17O-[31P] REDOR NMR证明了其在磷酸盐玻璃中非桥氧方面的适用性。取向信息存在于二阶四极模式随回波延迟的变化中。给出了富含17O的磷酸钠玻璃的17O-[31P] REDOR NMR的结果和数值模拟。对于非桥氧，发现对称四极张量沿磷-氧键排列。计算了两种不同成分玻璃中P与非桥氧之间的距离。
