Monitoring conical intersections in the ring opening of furan by attosecond stimulated X-ray Raman spectroscopy

Structural Dynamics
Weijie HuaShaul Mukamel

Abstract

Attosecond X-ray pulses are short enough to capture snapshots of molecules undergoing nonadiabatic electron and nuclear dynamics at conical intersections (CoIns). We show that a stimulated Raman probe induced by a combination of an attosecond and a femtosecond pulse has a unique temporal and spectral resolution for probing the nonadiabatic dynamics and detecting the ultrafast (∼4.5 fs) passage through a CoIn. This is demonstrated by a multiconfigurational self-consistent-field study of the dynamics and spectroscopy of the furan ring-opening reaction. Trajectories generated by surface hopping simulations were used to predict Attosecond Stimulated X-ray Raman Spectroscopy signals at reactant and product structures as well as representative snapshots along the conical intersection seam. The signals are highly sensitive to the changes in nonadiabatically coupled electronic structure and geometry.

References

Jun 15, 1992·Physical Review Letters·J L KrauseK C Kulander
Sep 27, 1993·Physical Review Letters·P B Corkum
Apr 28, 2005·Journal of the American Chemical Society·Serhiy PerunWolfgang Domcke
Nov 16, 2006·Annual Review of Physical Chemistry·Philipp KukuraRichard A Mathies
May 2, 2007·Proceedings of the National Academy of Sciences of the United States of America·Luis Manuel FrutosMassimo Olivucci
Aug 11, 2007·Science·Henry KapteynMargaret Murnane
Mar 17, 2009·Science·Christer Z BisgaardAlbert Stolow
Jul 14, 2009·Journal of the American Chemical Society·Takuya HorioToshinori Suzuki
Dec 29, 2010·The Journal of Chemical Physics·Takao FujiVlasta Bonačić-Koutecký
Nov 5, 2011·Chemical Reviews·David R Yarkony
Nov 24, 2011·Angewandte Chemie·Karin HaiserThomas Carell
Mar 13, 2012·Annual Review of Physical Chemistry·Joachim UllrichRobert Moshammer
Apr 13, 2012·The Journal of Physical Chemistry. a·Benjamin P FingerhutRegina de Vivie-Riedle
Jun 7, 2012·The Journal of Chemical Physics·Benjamin P FingerhutRegina de Vivie-Riedle
Jul 4, 2012·Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences·Jason D BiggsShaul Mukamel
Sep 26, 2012·Physical Review Letters·Vladimir S PetrovićPhilip H Bucksbaum
Jun 21, 2013·Physical Chemistry Chemical Physics : PCCP·Konstantin E DorfmanShaul Mukamel
Oct 5, 2013·The Journal of Chemical Physics·Konstantin E DorfmanShaul Mukamel
Jan 1, 2014·Journal of Chemical Theory and Computation·Weijie HuaShaul Mukamel
Jan 25, 2014·Physical Chemistry Chemical Physics : PCCP·Brenden C Arruda, Roseanne J Sension
Jun 14, 2014·Proceedings of the National Academy of Sciences of the United States of America·Thomas A A OliverGraham R Fleming
Jun 24, 2014·Nature Communications·B K McFarlandM Gühr

❮ Previous
Next ❯

Citations

Jun 2, 2016·Journal of Chemical Theory and Computation·Martin Richter, Benjamin P Fingerhut
Sep 1, 2019·The Journal of Chemical Physics·Thomas Schaupp, Volker Engel
Feb 24, 2017·The Journal of Chemical Physics·Kilian HaderVolker Engel
Nov 30, 2019·The Journal of Chemical Physics·Yuki KobayashiStephen R Leone
Jun 30, 2018·Physical Review Letters·Simon P NevilleMichael S Schuurman
May 22, 2019·Faraday Discussions·Majed Chergui
Aug 26, 2020·Journal of the American Chemical Society·Irene ContiMarco Garavelli
Oct 19, 2019·The Journal of Physical Chemistry Letters·Weijie HuaYi Luo
Sep 11, 2021·Journal of Chemical Theory and Computation·Carlotta Pieroni, Federica Agostini

❮ Previous
Next ❯

Methods Mentioned

BETA
X-ray

Software Mentioned

Molpro
NewtonX
RASSCF
CoIns
ASRS

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.

© 2022 Meta ULC. All rights reserved