Dynamics at Conical Intersections

Annual Review of Physical Chemistry
Michael S Schuurman, Albert Stolow

Abstract

The nonadiabatic coupling of electronic and vibrational degrees of freedom is the defining feature of electronically excited states of polyatomic molecules. Once considered a theoretical curiosity, conical intersections (CIs) are now generally accepted as being the dominant source of coupled charge and vibrational energy flow in molecular excited states. Passage through CIs leads to the conversion of electronic to vibrational energy, which drives the ensuing photochemistry, isomerization being a canonical example. It has often been remarked that the CI may be thought of as a transition state in the excited state. As such, we expect that both the direction and the velocity of approach to the CI will matter. We explore this suggestion by looking for dynamical aspects of passage through CIs and for analogies with well-known concepts from ground-state reaction dynamics. Great progress has been made in the development of both experimental techniques and ab initio dynamics simulations, to a degree that direct comparisons may now be made. Here we compare time-resolved photoelectron spectroscopy results with on-the-fly ab initio multiple spawning calculations of the experimental observables, thereby validating each. We adopt a phenomen...Continue Reading

References

Feb 21, 2002·Proceedings of the National Academy of Sciences of the United States of America·M Ben-NunTodd J Martinez
Apr 25, 2002·Annual Review of Physical Chemistry·Tamar Seideman
Jan 14, 2003·Annual Review of Physical Chemistry·Albert Stolow
Feb 8, 2003·Annual Review of Physical Chemistry·Katharine L Reid
Apr 15, 2004·Chemical Reviews·Albert StolowDaniel M Neumark
May 1, 2004·Annual Review of Physical Chemistry·Graham A Worth, Lorenz S Cederbaum
May 25, 2005·The Journal of Chemical Physics·M BarbattiH Lischka
Apr 8, 2006·Annual Review of Physical Chemistry·Toshinori Suzuki
Feb 13, 2007·Annual Review of Physical Chemistry·Benjamin G Levine, Todd J Martínez
Mar 29, 2007·The Journal of Physical Chemistry. a·Fabrizio SiciliaMichael A Robb
Aug 10, 2007·The Journal of Physical Chemistry. a·Hanneli R HudockTodd J Martínez
Nov 8, 2007·The Journal of Physical Chemistry. a·A M D LeeAlbert Stolow
Jul 30, 2008·Proceedings of the National Academy of Sciences of the United States of America·Michael N R AshfoldThomas A A Oliver
Dec 19, 2008·The Journal of Physical Chemistry. B·Aaron M VirshupTodd J Martínez
Nov 6, 2009·The Journal of Physical Chemistry. a·Hongli TaoTodd J Martínez
Mar 3, 2010·The Journal of Physical Chemistry. a·Oliver SchalkAlbert Stolow
Nov 9, 2010·Annual Review of Physical Chemistry·Sanghamitra Deb, Peter M Weber
Dec 4, 2010·The Journal of Physical Chemistry. a·Artur NenovRegina de Vivie-Riedle
Jan 12, 2011·Annual Review of Physical Chemistry·Spiridoula Matsika, Pascal Krause
Jul 5, 2011·The Journal of Chemical Physics·H TaoT J Martinez
Aug 20, 2011·Journal of the American Chemical Society·Oliver SchalkMichael S Schuurman
Nov 4, 2011·The Journal of Chemical Physics·Guorong WuAlbert Stolow
Dec 14, 2011·The Journal of Physical Chemistry. a·Toshifumi MoriTodd J Martinez
Dec 20, 2012·The Journal of Chemical Physics·Kenichiro Saita, Dmitrii V Shalashilin
Sep 10, 2013·The Journal of Physical Chemistry. a·Oliver SchalkAlbert Stolow
Apr 8, 2014·Physical Review Letters·Kwanghsi WangMichael S Schuurman
Oct 9, 2014·The Journal of Physical Chemistry. a·Scott M RabidouxJohn F Stanton
Aug 25, 2015·The Journal of Physical Chemistry. a·Takufumi KobayashiToshinori Suzuki
May 10, 2011·Journal of Chemical Theory and Computation·Martin RichterLeticia González
Jan 10, 2016·The Journal of Chemical Physics·Elio G ChampenoisJames P Cryan
Jan 10, 2016·The Journal of Chemical Physics·Simon P NevilleMichael S Schuurman
Nov 24, 2016·The Journal of Chemical Physics·João Pedro Malhado, James T Hynes
Mar 23, 2017·Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences·Xinyou Ma, William L Hase
Jul 1, 2017·The Journal of Physical Chemistry Letters·Michael N R AshfoldDaniel Murdock

❮ Previous
Next ❯

Citations

Oct 26, 2018·Physical Chemistry Chemical Physics : PCCP·Cody AldazPaul M Zimmerman
May 21, 2019·Physical Chemistry Chemical Physics : PCCP·Benjamin G LevineMichael P Esch
Jan 17, 2020·The Journal of Chemical Physics·Michel van Veenendaal
Jun 24, 2020·The Journal of Chemical Physics·Michael P Esch, Benjamin G Levine
Jan 12, 2019·Annual Review of Physical Chemistry·Benjamin G LevineYinan Shu
Nov 30, 2019·The Journal of Chemical Physics·Yuki KobayashiStephen R Leone
Sep 24, 2020·Physical Chemistry Chemical Physics : PCCP·Camille A Farfan, Daniel B Turner
Sep 24, 2020·The Journal of Chemical Physics·Michael P Esch, Benjamin G Levine
Jul 6, 2019·The Journal of Chemical Physics·Addison J Schile, David T Limmer
Dec 12, 2020·Physical Chemistry Chemical Physics : PCCP·Narayanasami Sathyamurthy, Susanta Mahapatra
Jan 27, 2021·Chemical Society Reviews·Tobias UllrichDirk M Guldi
Nov 18, 2020·Nature Nanotechnology·Antonietta De SioChristoph Lienau
Jan 30, 2021·Science·Kristina S ZinchenkoHans Jakob Wörner
Dec 16, 2020·The Journal of Chemical Physics·Franziska SchüppelRegina de Vivie-Riedle
Jan 16, 2021·Physical Review Letters·Pauline J OllitraultIvano Tavernelli
Mar 10, 2021·The Journal of Chemical Physics·Benjamin G LevineYinan Shu
Mar 18, 2021·The Journal of Physical Chemistry Letters·Victor M FreixasSergei Tretiak
Apr 20, 2021·Physical Chemistry Chemical Physics : PCCP·Myles C SilfiesThomas K Allison
Apr 29, 2021·Physical Chemistry Chemical Physics : PCCP·Nikoleta Kotsina, Dave Townsend
Apr 21, 2021·Physical Chemistry Chemical Physics : PCCP·Tim VölzerJonas Bresien
May 29, 2019·The Journal of Physical Chemistry Letters·Hung-Hsuan Teh, Joseph E Subotnik
Aug 23, 2019·The Journal of Physical Chemistry. a·Camille A Farfan, Daniel B Turner
Jan 11, 2020·The Journal of Physical Chemistry Letters·Pascal HeimMarkus Koch
Aug 14, 2020·The Journal of Physical Chemistry Letters·Lin ShenWei-Hai Fang
Jul 21, 2020·Journal of Chemical Theory and Computation·Dmitry A FedorovBenjamin G Levine
Apr 3, 2020·The Journal of Physical Chemistry. a·Andriy PysanenkoPetr Slavicek
Aug 3, 2019·The Journal of Physical Chemistry. a·Lin ShenWei-Hai Fang
May 6, 2019·The Journal of Physical Chemistry. a·Ryan J MacDonell, Michael S Schuurman
Jan 30, 2019·The Journal of Physical Chemistry Letters·Nikoleta KotsinaDave Townsend
Nov 13, 2021·The Journal of Physical Chemistry. a·Bayaer BurenHua Guo
Nov 30, 2021·Accounts of Chemical Research·Ravi Kumar Venkatraman, Andrew J Orr-Ewing
Dec 1, 2021·Materials Horizons·Lauren M YablonLuis M Campos
Dec 23, 2021·Physical Chemistry Chemical Physics : PCCP·Issaka SeiduMichael S Schuurman

❮ Previous
Next ❯

Software Mentioned

AIMS
TRPES

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.

Related Papers

Annual Review of Physical Chemistry
Dong H Zhang, Hua Guo
Annual Review of Physical Chemistry
Neil Qiang Su, Xin Xu
Annual Review of Physical Chemistry
Juan J Nogueira, Leticia González
© 2022 Meta ULC. All rights reserved