Interactional Features of (RO) <sub>4</sub> Ti Species and Their Zr and Hf Analogues
Abstract
Abstract Tetroxides of Group 4 elements are benchmark catalysts for aldol reactions and oxidation processes, achieving high yields and regio‐, diastereo‐, and enantioselectivities. Our computational analyses and experimental studies, performed in solution and solid, consistently reveal that these tetroxides form attractive interactions with lone pair compounds exhibiting distinctive σ‐hole bond features. We propose naming these novel bondings as titan bonds (TnBs). These new insights into Ti/Zr/Hf tetroxide interactions may significantly aid in designing more effective catalysts with enhanced selectivities.
Article Details
Authors (8)
Elisabetta Venturin
Department of Chemistry Materials Chemical Engineering “Giulio Natta” Politecnico di Milano via Mancinelli 7 Milano 20131 Italy
Rosa M. Gomila
Departament de Química, Universitat de les Illes Balears, Crta. de Valldemossa km 7.5, Palma 07122, Baleares, Spain
Roberta Bertani
Department of Industrial Engineering University of Padova via F. Marzolo 9 Padova 35131 Italy
Andrea Pizzi
Laboratory of Nanostructured Fluorinated Materials (NFMLab), Department of Chemistry, Materials, and Chemical Engineering “Giulio Natta”, Politecnico di Milano, via E. Bassini 6, 20133 Milano, Italy
Paolo Sgarbossa
Department of Industrial Engineering University of Padova via F. Marzolo 9 Padova 35131 Italy
Arun Dhaka
Laboratory of Nanostructured Fluorinated Materials (NFMLab), Department of Chemistry, Materials, and Chemical Engineering “Giulio Natta”, Politecnico di Milano, via E. Bassini 6, 20133 Milano, Italy
Antonio Frontera
Departament de Química, Universitat de les Illes Balears, Crta. de Valldemossa km 7.5, Palma 07122, Baleares, Spain
Giuseppe Resnati
Laboratory of Nanostructured Fluorinated Materials (NFMLab), Department of Chemistry, Materials, and Chemical Engineering “Giulio Natta”, Politecnico di Milano, via E. Bassini 6, 20133 Milano, Italy