Abstract

The article surveys the first ³⁵Cl NQR results on detecting and characterizing noncovalent interactions in systems assembling [B₁₀Cl₁₀]²⁻ clusters via halogen atoms. A number of compounds of decachloro-closo-decaborates with alkali metal or organic cations as well as with silver(I), copper(II) and iron(II) complexes were studied using ³⁵Cl NQR and X-ray diffraction. The main interest of this survey is a capability of chlorine atoms to participate in noncovalent interactions with organic cations, ligand and solvent molecules without touching upon issues of synthesis. Whereas X-ray diffraction establishes the noncovalent interactions relying on the sum of vdW radii which serves as the basic and sometimes the only experimental criterion for identifying such interactions, the ³⁵Cl NQR technique registers subtle perturbations in electron density distribution on the chlorine site caused by secondary interactions Cl···X. They adequately split the ³⁵Cl NQR spectra thus selecting from the entire set of interatomic contacts those actually induced by noncovalent interactions.

中文翻译：

---

35 Cl NQR监测基于高氯硼簇的化合物中的非共价相互作用（综述）

摘要

文章调查了通过卤素原子组装[B ₁₀ Cl ₁₀ ] ^2-簇的系统中检测和表征非共价相互作用的前^35个Cl NQR结果。许多decachloro-化合物的闭合碳与碱金属或有机阳离子，以及与银（I），铜（II）和铁-decaborates（II）配合物，使用了研究³⁵Cl NQR和X射线衍射。该调查的主要兴趣在于氯原子参与与有机阳离子，配体和溶剂分子的非共价相互作用的能力，而无需涉及合成问题。X射线衍射依靠vdW半径之和建立非共价相互作用，vdW半径是识别此类相互作用的基本且有时是唯一的实验标准，而³⁵ Cl NQR技术记录了由氯离子引起的氯位置电子密度分布的细微扰动次要相互作用Cl···X。他们充分分割了³⁵ Cl NQR光谱，从而从整个原子间接触集合中选择了那些实际上是由非共价相互作用所诱导的接触。