Nuclear motion, or molecular vibrations, mediate essentially all chemical dynamics and reactions. A rich interplay between electronic and nuclear degrees-of-freedom manifests in contexts such as light-induced chemical reactions (photochemistry), electron/charge transfer, and ultrafast energy dissipation. In these contexts, the close connection between chemical structure and molecular vibrations has inspired studies which navigate the structure-vibration-function relationship imprinted into the corresponding dynamics. Viewed in this way, molecular vibrations can act as a template for prescribing a particular function to a chemical structure, with the common goal being to design structural motifs which can predictably give rise to a target function in applications of energy capture and conversion, drug discovery, and quantum computing just to name a few. It is our privilege to introduce this Research Topic issue of Frontiers in Chemistry which includes a set of 8 articles which collectively journey into this frontier.

Editorial: Vibrationally-Mediated Chemical Dynamics

Maiuri M.
2021-01-01

Abstract

Nuclear motion, or molecular vibrations, mediate essentially all chemical dynamics and reactions. A rich interplay between electronic and nuclear degrees-of-freedom manifests in contexts such as light-induced chemical reactions (photochemistry), electron/charge transfer, and ultrafast energy dissipation. In these contexts, the close connection between chemical structure and molecular vibrations has inspired studies which navigate the structure-vibration-function relationship imprinted into the corresponding dynamics. Viewed in this way, molecular vibrations can act as a template for prescribing a particular function to a chemical structure, with the common goal being to design structural motifs which can predictably give rise to a target function in applications of energy capture and conversion, drug discovery, and quantum computing just to name a few. It is our privilege to introduce this Research Topic issue of Frontiers in Chemistry which includes a set of 8 articles which collectively journey into this frontier.
2021
conical intersections
density functional theory
isomerization
spectroscopy
vibronic coupling
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11311/1175494
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