title: Formation of Gas-Phase Formate in Thermal Reactions of Carbon Dioxide with Diatomic Iron Hydride Anions.
abstract: The hydrogenation of carbon dioxide involves the activation of the thermodynamically very stable molecule CO2and formation of a C-H bond. Herein, we report that HCO2-and CO can be formed in the thermal reaction of CO2with a diatomic metal hydride species, FeH-. The FeH-anions were produced by laser ablation, and the reaction with CO2was analyzed by mass spectrometry and quantum-chemical calculations. Gas-phase HCO2-was observed directly as a product, and its formation was predicted to proceed by facile hydride transfer. The mechanism of CO2hydrogenation in this gas-phase study parallels similar behavior of a condensed-phase iron catalyst.
authors.affiliation: Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences, Beijing, 100190, China.|University of Chinese Academy of Sciences, Beijing, 100049, China.
authors.forename: Li-Xue
authors.initials: LX
authors.lastname: Jiang
authors.affiliation: Key Laboratory of Photochemistry, Institute of Chemistry, Chinese Academy of Sciences, Beijing, 100190, China.|University of Chinese Academy of Sciences, Beijing, 100049, China.
authors.forename: Chongyang
authors.initials: C
authors.lastname: Zhao
authors.affiliation: Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences, Beijing, 100190, China.
authors.forename: Xiao-Na
authors.initials: XN
authors.lastname: Li
authors.affiliation: Key Laboratory of Photochemistry, Institute of Chemistry, Chinese Academy of Sciences, Beijing, 100190, China.
authors.forename: Hui
authors.initials: H
authors.lastname: Chen
authors.affiliation: Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences, Beijing, 100190, China.
authors.forename: Sheng-Gui
authors.initials: SG
authors.lastname: He
keywords: carbon dioxide; hydrogenation; iron hydride; mass spectrometry; quantum-chemical calculations