层状锡（IV）和锆（IV）膦酸盐材料中芳香环的摆动和旋转运动：变温碳、磷固态核磁共振研究
On Librational and Rotational Motions of Aromatic Rings in Layered Sn(IV) and Zr(IV) Phosphonate Materials: A Variable-Temperature C, P Solid-State NMR Study.
作者信息
Bakhmutov Vladimir I, Elliott Douglas W, Contreras-Ramirez Aida, Clearfield Abraham, Zhou Hong-Cai
机构信息
Department of Chemistry, Texas A&M University, College Station, Texas 77843, United States.
Department of Materials Science and Engineering, Texas A&M University, College Station, Texas 77843-3003, United States.
出版信息
J Phys Chem Lett. 2020 Jul 2;11(13):4958-4961. doi: 10.1021/acs.jpclett.0c01173. Epub 2020 Jun 10.
According to the solid-state C, P NMR study and C chemical shift anisotropy (CSA) measurements, aromatic rings in the layered metal(IV) phosphonate materials behave as low-energy rotors at rotation activation energy, , of 1.4-3.0 kcal/mol. The rotational mechanism consists of 180° flips and librations around C(1)-C(4) axis. The amplitude of the librations, added to the flips, grows with temperature, shifting the reorientations toward rotational diffusion at high temperatures.
根据固态碳、磷核磁共振研究以及碳化学位移各向异性（CSA）测量结果，层状金属（IV）膦酸盐材料中的芳环在1.4 - 3.0千卡/摩尔的旋转活化能下表现为低能转子。旋转机制包括180°翻转以及围绕C(1)-C(4)轴的摆动。摆动幅度加上翻转幅度随温度升高而增大，在高温下使重新取向转变为旋转扩散。
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