Inostroza-Rivera Ricardo, Parida Rakesh, Nambiar Sachin, Giri Santanab
Departamento Química Orgánica, Facultad de Química y Farmacia, Pontificia Universidad Católica de Chile, Av. Vicuña Mackenana, 4860 Macul, Chile.
Department of Chemistry, National Institute of Technology Rourkela, Rourkela, Odisha 769008, India.
J Phys Chem A. 2021 Apr 8;125(13):2751-2758. doi: 10.1021/acs.jpca.1c00671. Epub 2021 Mar 24.
In quest of a Zintl ion-based Lewis superacids, Al(GeL) {L= H, CH, CHO and CN} compounds have been designed and their properties have been studied within the framework of conceptual density functional theory-based reactivity descriptors. Superacid property has been identified for these complexes as per the fluoride ion affinity (FIA) values. Studies reveal that Al[Ge(CN)] and Al[Ge(CH)] behave like superacids as their FIA exceeds the value of SbF, which is considered as the strongest Lewis acid. It has been observed that the ligand plays an important role in reactivity as well as in Lewis acidic property.
为了寻找基于津特耳离子的路易斯超酸，设计了Al(GeL) {L = H、CH、CHO和CN}化合物，并在基于概念密度泛函理论的反应性描述符框架内研究了它们的性质。根据氟离子亲和力（FIA）值确定了这些配合物的超酸性质。研究表明，Al[Ge(CN)]和Al[Ge(CH)]表现出超酸的性质，因为它们的FIA超过了被认为是最强路易斯酸的SbF的值。据观察，配体在反应性以及路易斯酸性方面起着重要作用。
