Carbon Dioxide Capture and Functionalization from a Molecular Ti(III) Oxo Anion

S Samuel S. Veroneau (Department of Chemistry University of Pennsylvania 231 S. 34<sup>th</sup> Street Philadelphia PA 19104 USA) J Jacob S. Mohar (Department of Chemistry, University of Pennsylvania, 231 S. 34th St., Philadelphia, Pennsylvania 19104, United States) M Mrinal Bhunia (Department of Chemistry, University of Pennsylvania, 231 S. 34th St., Philadelphia, Pennsylvania 19104, United States) H Hannah Farber (Department of Chemistry University of Pennsylvania 231 S. 34<sup>th</sup> Street Philadelphia PA 19104 USA) A Alexander L. Laughlin (Department of Chemistry and Chemical Biology, Baker Laboratory) R Robert W. Voland (Department of Chemistry and Chemical Biology, Baker Laboratory, Cornell University) A Alexandra Bacon (Department of Chemistry University of Pennsylvania 231 S. 34<sup>th</sup> Street Philadelphia PA 19104 USA) M Michael R. Gau (P. Roy and Diana T. Vagelos Laboratories, Department of Chemistry) K Kyle M. Lancaster (Department of Chemistry and Chemical Biology, Cornell University, Baker Laboratory, 162 Sciences Drive, Ithaca, New York 14853, United States) D Daniel J. Mindiola (Department of Chemistry, University of Pennsylvania, 231 S. 34th St., Philadelphia, Pennsylvania 19104, United States)

Abstract

AbstractCarbon dioxide capture and functionalization sequesters carbon dioxide in more robust products and offers a viable route to reducing greenhouse gas emissions. We present herein a unique molecular TiIII oxo anion that reversibly binds CO2 to allow both its sequestration and functionalization. The reduction of [(PN)2Ti═O] (1) [PN = (2‐PiiPr2‐4‐methylphenyl)(mesityl)amide] with KC8 and 2.2.2‐cryptand (crypt) resulted in formation of [K(crypt)][(PN)2Ti═O] (2), which was fully characterized and shown to contain a Ti‐centered radical. Complex 2 reacts with Al(CH3)3 to form [K(crypt)][(PN)2Ti{O(Al(CH3)3}] (3), which can be independently prepared from [K(crypt)][(PN)2Ti(OCP)] and Al(CH3)3. Whereas 1 does not react with CO2, 2 rapidly captures the gas (1 atm, 25 °C) to produce a TiIII carbonate [K(crypt)][(PN)2Ti(κ2‐O2C═O)] (4). Chemical and electrochemical oxidation of 4 releases CO2 to regenerate 1 while a soluble organic carbonate [Me3SiOC(O)OSiMe3, Me = CH3] is obtained from reaction of 4 with ClSiMe3.

Article Details

Volume / Issue Vol. 64, Issue 40
Published September 26, 2025
ISSN 1433-7851
Publisher Wiley

Journal Info

Angewandte Chemie International Edition

Wiley

ISSN: 1433-7851 Physical Sciences

Authors (10)

S

Samuel S. Veroneau

Department of Chemistry University of Pennsylvania 231 S. 34<sup>th</sup> Street Philadelphia PA 19104 USA

J

Jacob S. Mohar

Department of Chemistry, University of Pennsylvania, 231 S. 34th St., Philadelphia, Pennsylvania 19104, United States

M

Mrinal Bhunia

Department of Chemistry, University of Pennsylvania, 231 S. 34th St., Philadelphia, Pennsylvania 19104, United States

H

Hannah Farber

Department of Chemistry University of Pennsylvania 231 S. 34<sup>th</sup> Street Philadelphia PA 19104 USA

A

Alexander L. Laughlin

Department of Chemistry and Chemical Biology, Baker Laboratory

R

Robert W. Voland

Department of Chemistry and Chemical Biology, Baker Laboratory, Cornell University

A

Alexandra Bacon

Department of Chemistry University of Pennsylvania 231 S. 34<sup>th</sup> Street Philadelphia PA 19104 USA

M

Michael R. Gau

P. Roy and Diana T. Vagelos Laboratories, Department of Chemistry

K

Kyle M. Lancaster

Department of Chemistry and Chemical Biology, Cornell University, Baker Laboratory, 162 Sciences Drive, Ithaca, New York 14853, United States

D

Daniel J. Mindiola

Department of Chemistry, University of Pennsylvania, 231 S. 34th St., Philadelphia, Pennsylvania 19104, United States