Facultad de Matemática, Astronomía, Física y Computación, Universidad Nacional de Córdoba and IFEG-CONICET, Ciudad Universitaria, X5016LAE Córdoba, Argentina.
Facultad de Matemática, Astronomía, Física y Computación, Universidad Nacional de Córdoba and IFEG-CONICET, Ciudad Universitaria, X5016LAE Córdoba, Argentina.
Solid State Nucl Magn Reson. 2017 Oct;87:18-23. doi: 10.1016/j.ssnmr.2017.06.005. Epub 2017 Jun 20.
A simple model to explain the NQR lineshape in solids with orientational disorder or substitutional disorder is presented. The particular case of m-chlorobromobenzene is studied. It is based on the assumption that Bromine atoms, of m-chlorobromobenzene molecules, behave as point defects in the m-dichlorobenzene lattice that modify the crystalline Electric Field Gradient. The model is also tested successfully in solid solutions of p-dichlorobenzene-p-dibromobenzene, where Bromine atoms of p-dibromobenzene molecules are assumed to be homogeneously distributed in the p-dichlorobenzene lattice. The lineshape, of others disordered chlorohalobenzenes, are also analyzed. Also, a characterization of m-chlorobromobenzene dynamics is included. In particular, there is no evidence of molecular reorientations as it is observed in the disordered phases of o-chlorobromobenzene.
本文提出了一个简单的模型，用于解释具有取向无序或取代无序的固体中的 NQR 线宽。研究了间氯溴苯的特殊情况。该模型基于这样的假设：间氯溴苯分子中的溴原子在间二氯苯晶格中表现为点缺陷，从而改变了晶格格电场所。该模型在对 p-二氯苯-p-二溴苯的固溶体中也成功地进行了测试，其中 p-二溴苯分子中的溴原子被假设均匀地分布在 p-二氯苯晶格中。其他无序的氯卤代苯的线宽也进行了分析。此外，还包括对间氯溴苯动力学的特征描述。特别是，没有观察到分子重排的证据，而在邻氯溴苯的无序相中观察到了这种重排。
