Theoretical study of multiphoton ionization of cyclohexadienes and unimolecular decomposition of their mono- and dications

Physical Chemistry Chemical Physics : PCCP
T S ZyubinaSheng-Hsien Lin

Abstract

Quantum chemical calculations of the geometric structure, vertical excitation energies, and ionization potentials for the isomeric pair of 1,3- and 1,4-cyclohexadienes and their mono- and dications have been performed employing a variety of theoretical methods and basis sets. The computed ionization potentials and electronic excitation energies are used to evaluate the range of internal energies available for fragmentation of the cations following multiphoton resonance ionization of the cyclohexadienes in intense laser field. The conditions governing the competition between multiple ionization and decomposition of the ions are also discussed. Calculations of stationary points on the potential energy surfaces for various fragmentation channels and relative product yields at different available internal energies are then utilized to analyze the trends in branching ratios of major dissociation products of the 1,4-cyclohexadiene(2+) dication, which include C(3)H(3)(+) + C(3)H(5)(+), C(2)H(3)(+) + C(4)H(5)(+), and C(4)H(3)(+) + C(2)H(5)(+).

References

Sep 27, 1993·Physical Review Letters·P B Corkum
Aug 21, 2001·The Journal of Organic Chemistry·A T Radosevich, O Wiest
Dec 20, 2003·Physical Review Letters·V R BhardwajD M Rayner

❮ Previous
Next ❯

Citations

Dec 17, 2008·The Journal of Chemical Physics·A M Mebel, A D Bandrauk
Dec 11, 2013·The Journal of Chemical Physics·Vladimir S PetrovicPhilip H Bucksbaum
Mar 2, 2016·The Journal of Physical Chemistry. a·Arthur ZhaoThomas Weinacht
Oct 6, 2010·Journal of the American Chemical Society·Iryna GarkushaJohn P Maier
Sep 24, 2009·Physical Chemistry Chemical Physics : PCCP·Marco García-Revilla, Jesús Hernández-Trujillo
Mar 23, 2013·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Oumarou NjoyaThomas Weinacht
Oct 11, 2013·Physical Chemistry Chemical Physics : PCCP·Andras Bodi, Patrick Hemberger
Sep 26, 2012·Physical Review Letters·Vladimir S PetrovićPhilip H Bucksbaum

❮ Previous
Next ❯

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.