Kinetics of the reaction of CO3 ˙- (H2 O)n , n = 0, 1, 2, with nitric acid, a key reaction in tropospheric negative ion chemistry

Physical Chemistry Chemical Physics : PCCP
Christian van der LindeMartin K Beyer

Abstract

A significant fraction of nitrate in the troposphere is formed in the reactions of HNO3 with the carbonate radical anion CO3˙- and the mono- and dihydrated species CO3˙-(H2O)1,2. A reaction mechanism was proposed in earlier flow reactor studies, which is investigated here in more detail by quantum chemical calculations and experimental reactivity studies of mass selected ions under ultra-high vacuum conditions. Bare CO3˙- forms NO3-(OH˙) as well as NO3-, with a total rate coefficient of 1.0 × 10-10 cm3 s-1. CO3˙-(H2O) in addition affords stabilization of the NO3-(HCO3˙) collision complex, and thermalized CO3˙-(H2O) reacts with a total rate coefficient of 6.3 × 10-10 cm3 s-1. A second solvent molecule quenches the reaction, and only black-body radiation induced dissociation is observed for CO3˙-(H2O)2, with an upper limit of 6.0 × 10-11 cm3 s-1 for any potential bimolecular reaction channel. The rate coefficients obtained under ultra-high vacuum conditions are smaller than in the earlier flow reactor studies, due to the absence of stabilizing collisions, which also has a strong effect on the product branching ratio. Quantum chemical calculations corroborate the mechanism proposed by Möhler and Arnold. The reaction proceeds throu...Continue Reading

References

May 16, 2002·Journal of the American Chemical Society·Elena N KitovaJohn S Klassen
Jan 19, 2006·Journal of the American Chemical Society·Anthi KamariotisThomas R Rizzo
May 19, 2011·The Journal of Physical Chemistry. a·Diogo de Jesus Medeiros, Andre Silva Pimentel
Feb 11, 2015·Chemical Reviews·Nicholas S ShumanAlbert A Viggiano
Sep 12, 2015·The Journal of Physical Chemistry. a·Amou AkhgarnuschMartin K Beyer
May 21, 2016·Nature Communications·Katrianne LehtipaloMarkku Kulmala
May 27, 2016·Nature·Jasper KirkbyJoachim Curtius
Jul 13, 2016·Chemistry : a European Journal·Christian van der LindeMartin K Beyer
Nov 3, 2016·Science·Eimear M DunneKenneth S Carslaw
Dec 14, 2016·The Journal of Physical Chemistry. a·Wai Kit TangMartin K Beyer
Apr 12, 2017·Physical Chemistry Chemical Physics : PCCP·Jozef LengyelMichal Fárník

❮ Previous
Next ❯

Citations

Feb 2, 2021·Physical Chemistry Chemical Physics : PCCP·Michal FárníkAndriy Pysanenko
Mar 1, 2021·The Journal of Chemical Physics·Maximilian G MünstChristian van der Linde

❮ Previous
Next ❯

Software Mentioned

Gaussian09

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