Time-resolved photoelectron spectroscopy of molecular dissociation: Classical trajectory versus quantum wave-packet calculations

Literature Information

Publication Date 2002-09-18
DOI 10.1039/B205417E
Impact Factor 3.676
Authors

Christoph Meier, Volker Engel


View Original

Abstract

We present a simulation of ultrafast pump–probe photoelectron spectroscopy based on a classical treatment of the nuclear motion. A comparison with quantum mechanical wave-packet results shows that in the case of the direct dissociation of H2O in its à 1B1 electronic state this method produces extremely accurate results. The energy distribution of the photoelectrons recorded as a function of the pump–probe delay reflects the dissociation process, which takes place within only a few femtoseconds.

Related Literature

Paired cell for the preparation of AgI nanowires using nanoporous alumina membrane templates

Yuanzhe Piao, Hasuck Kim

2003-10-17 Communication

DOI: 10.1039/B310212B

Helical supramolecular host with aquapores anchoring alternate molecules of helical water chains‡

Arindam Mukherjee, Manas K. Saha, Munirathinam Nethaji, Akhil R. Chakravarty

2004-02-12 Communication

DOI: 10.1039/B316275C

Insights into the reactivity and structure of silylene phosphonium ions

Rudolf Pietschnig

2004-01-30 Communication

DOI: 10.1039/B315001A

Interactions between a surfactant and cavitand in water blur distinctions between host and guest

Laurent Trembleau, Julius Rebek Jr

2003-11-28 Communication

DOI: 10.1039/B311424D

Rational design of porous titanophosphates

Christian Serre, Francis Taulelle, Gérard Ferey

2003-08-28 Feature Article

DOI: 10.1039/B304703B

Encapsulation of paramagnetic 3d1-vanadium(iv) in an antiferromagnetically coupled dodecanuclear copper(ii) cage

Arindam Mukherjee, Munirathinam Nethaji, Akhil R. Chakravarty

2003-11-04 Communication

DOI: 10.1039/B310521K

Preparation of chiral triarylphosphines by Pd-catalysed asymmetric P–C cross-coupling

Christian Korff, Günter Helmchen

2004-02-03 Communication

DOI: 10.1039/B315009G

Two contrasting ethynyl hydroboration pathways in the formation of a novel tris-hydroboration product from reaction of dimesitylborane with 2,5-diethynylpyridine

Christopher D. Entwistle, Andrei S. Batsanov, Judith A. K. Howard, Mark A. Fox, Todd B. Marder

2004-02-13 Communication

DOI: 10.1039/B316250H

You might also like

Compound Q&A

How should waste containing 2-Ethyl-4-Methyl-1H-Imidazole-5-Carbaldehyde (CAS: 88634-80-4) be handled?

Waste containing 2-Ethyl-4-Methyl-1H-Imidazole-5-Carbaldehyde (CAS: 88634-80-4) ...

88634-80-42-Ethyl-4-Methyl-1H-...
Compound Q&A

What industries use Triethoxy(octyl)silane (CAS: 1385031-14-0)?

Triethoxy(octyl)silane (CAS: 1385031-14-0) is widely used in the pharmaceuticals...

1385031-14-0Triethoxy(octyl)sila...
Compound Q&A

Are there alternatives to 3-iodo-7-nitro-1H-indazole (CAS: 864724-64-1) in synthesis?

Several alternatives to 3-iodo-7-nitro-1H-indazole (CAS: 864724-64-1) exist in t...

864724-64-13-iodo-7-nitro-1H-in...
Compound Q&A

Are there alternatives to Benzene, bis[(trimethoxysilyl)ethyl] (CAS: 266317-71-9) in synthesis?

Yes, there are alternatives to Benzene, bis[(trimethoxysilyl)ethyl] (CAS: 266317...

266317-71-9Benzene, bis[(trimet...
Compound Q&A

Is Isothiazole-3-carbonitrile (CAS: 1452-17-1) safe?

Isothiazole-3-carbonitrile (CAS: 1452-17-1) is generally considered safe when us...

1452-17-1Isothiazole-3-carbon...
Compound Q&A

Is (3-Chlorophenyl)methanol (CAS: 873-63-2) safe?

(3-Chlorophenyl)methanol (CAS: 873-63-2) is considered low to moderately toxic. ...

873-63-2(3-Chlorophenyl)meth...
Compound Q&A

How is (2S,3S)-2-Hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-(2-naphthyl)propanoic acid (CAS: 959583-98-3) typically synthesized?

(2S,3S)-2-Hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-(2-naphthyl)pr...

959583-98-3(2S,3S)-2-Hydroxy-3-...
Compound Q&A

What precautions should be taken when handling Methyl 2-(bromomethyl)-5-methoxybenzoate (CAS: 788081-99-2)?

Proper handling of methyl 2-(bromomethyl)-5-methoxybenzoate requires the use of ...

788081-99-2Methyl 2-(bromomethy...
Compound Q&A

What is 6,8-Dibromoimidazo[1,2-a]pyridine-2-carboxylic acid (CAS: 904805-36-3)?

6,8-Dibromoimidazo[1,2-a]pyridine-2-carboxylic acid (CAS: 904805-36-3) is an aro...

904805-36-36,8-Dibromoimidazo[1...
Compound Q&A

Is 3-Amino-5-bromo-2-pyridinecarbonitrile (CAS: 573675-27-1) safe?

3-Amino-5-bromo-2-pyridinecarbonitrile is considered safe when handled under pro...

573675-27-13-Amino-5-bromo-2-py...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.