Atmospheric oxidation mechanism of 1,2-dibromoethane

The Journal of Physical Chemistry. a
Carrie J Christiansen, Joseph S Francisco

Abstract

The complete atmospheric oxidation mechanism of 1,2-dibromoethane is proposed. There are 32 species and 22 transition state species involved in the proposed mechanism. Geometry optimizations and frequency computations are performed using the second-order Møller-Plesset perturbation theory and the 6-31G(d) basis set for all species and transition states. Single-point energy computations are performed using fourth-order Møller-Plesset perturbation theory and coupled cluster theory. Potential energy surfaces, including activation energies and enthalpies, are determined from the computations. Final products of this degradation include OH, CO(2), CO, CH(2)(O), CH(O)CH(O) (glyoxal), bromine radicals, CH(O)Br, HOBr, and a reservoir for a new atmospheric compound, BrC(O)C(O)Br.

References

Oct 19, 2007·The Journal of Physical Chemistry. a·Mónica Martínez-AvilésJoseph S Francisco

❮ Previous
Next ❯

Citations

Aug 17, 2011·The Journal of Chemical Physics·Jong-Liang LinMing-Yi Shiu
Nov 5, 2014·The Journal of Chemical Physics·Yu-Hsuan Huang, Yuan-Pern Lee
Jun 5, 2012·Chemical Society Reviews·Luc Vereecken, Joseph S Francisco
Feb 6, 2010·The Journal of Physical Chemistry. a·Carrie J ChristiansenJeffrey S Gaffney
Jul 31, 2010·The Journal of Physical Chemistry. a·Carrie J Christiansen, Joseph S Francisco
Feb 19, 2011·The Journal of Physical Chemistry. a·Patrick L LainePaul H Wine
Nov 19, 2020·The Journal of Physical Chemistry Letters·Shashank PathakDaniel Rolles

❮ 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.

Related Papers

The Journal of Physical Chemistry. a
Carrie J ChristiansenJeffrey S Gaffney
The Journal of Physical Chemistry. a
Mónica Martínez-AvilésJoseph S Francisco
The Journal of Physical Chemistry. a
Daniel D Kemp, Mark S Gordon
The Journal of Physical Chemistry. a
Pavel V AvramovMark S Gordon
© 2021 Meta ULC. All rights reserved