Quantum Mechanical Tunneling: Expanding Frontiers on Chemical Reactivity and Molecular Design

Project funded by Fundação para a Ciência e a Tecnologia, I.P. (FCT), grant 2020.04467.BD. Runs 2021-01-01 to 2024-12-31. Source: OpenAIRE Graph, from the funder's project data (collected by OpenAIRE on 2026-07-23); national funding data, not CORDIS. Abstract given by the source: Quantum mechanical tunneling relevance to chemistry has mostly been confined to explain an enhancement in reaction rates involving hydrogen-like fragments. However, recent evidence suggests that not only this phenomenon affects reactions involving heavier atoms, but can also be decisive for the selective outcome of chemical transformations, being invoked as a third paradigm of chemical reactivity. Its entrance into chemical reactivity rationalization is mandatory, as it will become an asset for designing novel molecules. In this project, methodologies to trigger tunneling reactions through vibrational excitation, control tunneling reactivity by tailoring electronic effects, and expand heavy-atom tunneling applicability to heavier atoms will be developed by investigating prototype molecular systems in cryogenic conditions. At a final stage, pioneer investigations in solution conditions will be performed to include tunneling in the design of novel synthetic strategies. The workplan includes an international and multidisciplinary approach involving synthesis, spectroscopy, photochemistry, kinetics and theoretical computations.

Original source.

Source: OpenAIRE Graph: projects of national funders, OpenAIRE, from the project data of Fundação para a Ciência e a Tecnologia, I.P. (FCT). Retrieved 2026-10-28. Licence: Creative Commons Attribution 4.0 (OpenAIRE Graph). Selected metadata, adapted presentation; the publisher's record is authoritative. No endorsement by the source is implied. Licence: Creative Commons Attribution 4.0 (CC BY 4.0).

AI-assisted summary: The project "Quantum Mechanical Tunneling" is funded by FCT and runs from January 2021 to December 2024. It aims to develop methodologies for tunneling reactions and expand their applicability to heavier atoms in chemical transformations. Suggested technology pillar: enabling. Generated by AI from the public source text; it may contain errors and the original source is authoritative.