Reaction intermediates exist in local energy minima unlike transition states
Reaction intermediates correspond to stable or metastable chemical species located at local energy minima on a potential energy surface, contrasting with transition states, which sit at first-order saddle points (local maxima along the reaction coordinate).
The claim correctly distinguishes between reaction intermediates (which reside in local energy minima) and transition states (which are saddle points/maxima). Multiple retrieved papers explicitly model intermediates as local minima on potential energy surfaces, supporting the claim.
Menglei Jia, Jianfu Chen, Haifeng Wang. (2×1) Reconstruction Mechanism of Rutile TiO2(011) Surface.. 2023. https://doi.org/10.1021/acsnano.2c09942
Paper [3] identifies labile reaction intermediates that reside at local energy minima along the reaction path.
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Hanna Lyle, Suryansh Singh, Michael Paolino, Ilya Vinogradov, Tanja Cuk. The electron-transfer intermediates of the oxygen evolution reaction (OER) as polarons by in situ spectroscopy.. 2021. https://doi.org/10.1039/d1cp01760h
Paper [4] describes catalytic intermediates as polarons trapped in potential energy minima on the potential energy surface.
Francesca Fasulo, Arianna Massaro, Ana B Muñoz-García, Michele Pavone. New Insights on Singlet Oxygen Release from Li-Air Battery Cathode: Periodic DFT Versus CASPT2 Embedded Cluster Calculations.. 2023. https://doi.org/10.1021/acs.jctc.3c00393
Paper [5] identifies a stable superoxide intermediate as a local minimum along the potential energy surface.
Andrzej L Sobolewski, Wolfgang Domcke. Photophysics of intramolecularly hydrogen-bonded aromatic systems: ab initio exploration of the excited-state deactivation mechanisms of salicylic acid.. 2006. https://doi.org/10.1039/b604610j
Paper [7] notes that transient intermediates and keto-type states represent local minima on the energy surface.
Atsushi Ishikawa, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki. Oxygen atom transfer reactions of iridium and osmium complexes: theoretical study of characteristic features and significantly large differences between these two complexes.. 2009. https://doi.org/10.1021/ic900285b
Paper [8] discusses unsymmetrical local minima (intermediates) that exist distinctly from transition states.
Paul M Zimmerman, Diana C Tranca, Joseph Gomes, Daniel S Lambrecht, Martin Head-Gordon, Alexis T Bell. Ab initio simulations reveal that reaction dynamics strongly affect product selectivity for the cracking of alkanes over H-MFI.. 2012. https://doi.org/10.1021/ja3089372
Paper [9] refers to a metastable reaction intermediate as a local minimum distinct from the transition state.
Krishnan Thirumoorthy, Amir Karton, Venkatesan S Thimmakondu. From High-Energy C7H2 Isomers with A Planar Tetracoordinate Carbon Atom to An Experimentally Known Carbene.. 2018. https://doi.org/10.1021/acs.jpca.8b08809
Paper [10] confirms that reactive isomers acting as intermediates are local minima on the potential-energy surface.
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