Interactional Features of (RO) <sub>4</sub> Ti Species and Their Zr and Hf Analogues

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.

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Publication Details

Journal
Angewandte Chemie International Edition
Published
2025-09-22
DOI
https://doi.org/10.1002/anie.202517522
Citations
2
Primary Topic
Organometallic Complex Synthesis and Catalysis
Type
article
Field-Weighted Citation Impact
1.87

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Interactional Features of (RO) 4 Ti Species and Their Zr and Hf Analogues

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Angewandte Chemie International Edition
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article

Interactional Features of (RO) 4 Ti Species and Their Zr and Hf Analogues

Giuseppe Resnati, Paolo Sgarbossa, Rosa M. Gomila, Arun Dhaka, Antonio Frontera, Andrea Pizzi, Roberta Bertani, Elisabetta Venturin
article en
2 citations

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.

Angewandte Chemie International EditionVol. 64(45)
Demos (US), University of Padua (IT), Istituto Nazionale di Fisica Nucleare, Sezione di Padova (IT), Universitat de les Illes Balears (ES), Politecnico di Milano (IT)
Ministerio de Ciencia, Innovación y Universidades, European Regional Development Fund, Agencia Estatal de Investigación
Openalex Percentile: Top 13%
Organometallic Complex Synthesis and Catalysis
1.87
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