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Charge migration is the electronic response that immediately follows localized ionization or excitation in a molecule, before the nuclei have time to move. It typically unfolds on sub-femtosecond time scales and most often corresponds to…

Atomic and Molecular Clusters · Physics 2022-03-07 Francois Mauger , Aderonke Folorunso , Kyle Hamer , Cristel Chandre , Mette Gaarde , Kenneth Lopata , Kenneth Schafer

Attosecond science offers unprecedented precision in probing the initial moments of chemical reactions, revealing the dynamics of molecular electrons that shape reaction pathways. A fundamental question emerges: what role, if any, do…

Chemical Physics · Physics 2024-07-24 Varun Makhija , Rishabh Gupta , Simon Neville , Micheal Schuurman , Joseph Francisco , Sabre Kais

Our understanding of the physics of biological molecules, such as proteins and DNA, is limited because the approximations we usually apply to model inert materials are not in general applicable to soft, chemically inhomogeneous systems. The…

Quantum Physics · Physics 2010-07-13 Sarah Harris , Vivien M. Kendon

The basic properties of atoms, molecules and solids are governed by electron dynamics which take place on extremely short time scales. To measure and control these dynamics therefore requires ultrafast sources of radiation combined with…

Atomic Physics · Physics 2008-02-27 J. Mauritsson , P. Johnsson , E. Gustafsson , M. Swoboda , T. Ruchon , A. LHuillier , K. J. Schafer

Attochemistry aims to exploit the properties of coherent electronic wavepackets excited via attosecond pulses, to control the formation of photoproducts. Such molecular processes can in principle be simulated with various nonadiabatic…

Chemical Physics · Physics 2024-05-28 Thierry Tran , Anthony Ferté , Morgane Vacher

Quantum coherence between electronic states of a photoionized molecule and the resulting process of ultrafast electron-hole migration have been put forward as a possible quantum mechanism of charge-directed reactivity governing the…

Photo-induced processes are fundamental in nature, but accurate simulations are seriously limited by the cost of the underlying quantum chemical calculations, hampering their application for long time scales. Here we introduce a method…

Shape resonances in physics and chemistry arise from the spatial confinement of a particle by a potential barrier. In molecular photoionization, these barriers prevent the electron from escaping instantaneously, so that nuclei may move and…

Tracing ultrafast processes induced by interaction of light with matter is often very challenging. In molecular systems, the initially created electronic coherence becomes damped by the slow nuclear rearrangement on a femtosecond timescale…

Chemical Physics · Physics 2021-09-20 Nikolay V. Golubev , Jiří Vaníček , Alexander I. Kuleff

The ultrafast dynamics of charge carriers in solids plays a pivotal role in emerging optoelectronics, photonics, energy harvesting, and quantum technology applications. However, the investigation and direct visualization of such…

In the last decade, the development of Ultrafast Electron Diffraction (UED) and Microscopy (UEM) has enabled the imaging of atomic motion in real time and space. These pivotal table-top tools opened the door for a vast range of applications…

Chemical Physics · Physics 2018-01-16 Mohammed Th. Hassan

High harmonic light sources make it possible to access attosecond time-scales, thus opening up the prospect of manipulating electronic wave packets for steering molecular dynamics. However, two decades after the birth of attosecond physics,…

The aim of the present work is spectroscopic and thermodynamic study of DNA catalytic properties in the following processes: a) redox; b) formation of inter-strand cross-links; c) performing of photo-dynamic effects; d) nanoscale resonance…

Biological Physics · Physics 2014-06-30 Vasil G. Bregadze , Zaza G. Melikishvili , Tamar G. Giorgadze

Proton-coupled electron transfer (PCET) is the underlying mechanism governing important reactions ranging from water splitting in photosynthesis to oxygen reduction in hydrogen fuel cells. The interplay of proton and electronic charge…

Chemical Physics · Physics 2023-09-12 Micheline B. Soley , Pablo E. Videla , Erik T. J. Nibbering , Victor S. Batista

Attosecond science has opened up new frontiers in our understanding of processes happening on the intrinsic timescale of electrons. The ability to manipulate and observe phenomena at the attosecond level has yielded groundbreaking insights…

Quantum Physics · Physics 2024-11-08 Lidice Cruz-Rodriguez , Diptesh Dey , Antonia Freibert , Philipp Stammer

Local electrochemical measurements and imaging at the nanoscale are crucial for the future development of molecular devices, sensors, materials engineering, electrophysiology and various energy applications from artificial photosynthesis to…

The route towards manipulation of the optoelectronic properties of matter beyond the current limits of electronics starts from a comprehensive study of the ultrafast dynamics triggered by interaction with light. Among them, a fundamental…

Attosecond science has been transforming our understanding of electron dynamics in atoms, molecules and solids. However, to date almost all of the attoscience experiments have been based on spectroscopic measurements because attosecond…

Attosecond charge migration is a periodic evolution of the charge density of a molecule on a time scale defined by the energy intervals between the electronic states involved. Here, we report the observation of charge migration in neutral…

The interference of matter waves is one of the intriguing features of quantum mechanics that has impressed researchers and laymen since it was first suggested almost a century ago. Nowadays, attosecond science tools allow us to utilize it…

Chemical Physics · Physics 2021-11-03 Kasra Amini , Alexis Chacón , Sebastian Eckart , Benjamin Fetić , Matthias Kübel