Forgeron Michelle A M, Wasylishen Roderick E
Department of Chemistry, Gunning/Lemieux Chemistry Centre, University of Alberta, Edmonton, Alberta, CanadaT6G 2G2.
Phys Chem Chem Phys. 2008 Jan 28;10(4):574-81. doi: 10.1039/b713276j. Epub 2007 Nov 21.
A series of molybdate, MoO4(2-), salts have been studied using solid-state 95Mo NMR spectroscopy at applied magnetic field strengths of 11.75, 17.63 and 21.14 T. In contrast to previous investigations, the principal components of the Mo shielding and EFG tensors have been obtained, as well as their relative orientations. At the fields employed, the anisotropic Mo shielding and quadrupolar interactions make significant contributions to the observed 95Mo central transition NMR lineshapes. Based on available structural data, the extent of distortion of the MoO4(2-) anion from T(d) symmetry is reflected in the observed 95Mo nuclear quadrupolar coupling constants for the molybdate salts with divalent cations (i.e., Ca2+, Sr2+, Cd2+, Ba2+, Pb2+), but no correlation is found for molybdate salts containing the monovalent alkali metal (Li+, K+, Rb+, Cs+) cations.
利用固态(^{95}Mo)核磁共振光谱，在(11.75)、(17.63)和(21.14)特斯拉的外加磁场强度下，对一系列钼酸盐(MoO_4^{2 - })盐进行了研究。与之前的研究不同，已获得了钼屏蔽张量和电场梯度张量的主分量及其相对取向。在所使用的磁场下，各向异性的钼屏蔽和四极相互作用对观测到的(^{95}Mo)中心跃迁核磁共振线形有显著贡献。基于现有的结构数据，(MoO_4^{2 - })阴离子相对于(T_d)对称性的畸变程度反映在含二价阳离子（即(Ca^{2 + })、(Sr^{2 + })、(Cd^{2 + })、(Ba^{2 + })、(Pb^{2 + })）钼酸盐的观测(^{95}Mo)核四极耦合常数中，但对于含单价碱金属（(Li^{ + })、(K^{ + })、(Rb^{ + })、(Cs^{ + })）阳离子的钼酸盐，未发现相关性。
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