Statistical modeling of the reactions Fe+ + N2O → FeO+ + N2 and FeO+ + CO → Fe+ + CO2

文献信息

发布日期 2015-06-25

DOI 10.1039/C5CP01416F

影响因子 3.676

作者

Ryan S. Johnson, Hua Guo, Shaun G. Ard, Nicholas S. Shuman

查看原文

摘要

The rates of the reactions Fe+ + N2O → FeO+ + N2 and FeO+ + CO → Fe+ + CO2 are modeled by statistical rate theory accounting for energy- and angular momentum-specific rate constants for formation of the primary and secondary cationic adducts and their backward and forward reactions. The reactions are both suggested to proceed on sextet and quartet potential energy surfaces with efficient, but probably not complete, equilibration by spin-inversion of the populations of the sextet and quartet adducts. The influence of spin-inversion on the overall reaction rate is investigated. The differences of the two reaction rates mostly are due to different numbers of entrance states (atom + linear rotor or linear rotor + linear rotor, respectively). The reaction Fe+ + N2O was studied either with 6Fe+ or with 4Fe+ reactants. Differences in the rate constants of 6Fe+ and 4Fe+ reacting with N2O are attributed to different contributions from electronically excited potential energy surfaces, such as they originate from the open-electronic shell reactants.

期刊推荐

Nature Reviews Drug Discovery

Current Pharmaceutical Biotechnology

Environmental Toxicology and Pharmacology

Journal of Enzyme inhibition and Medicinal Chemistry

Angewandte Chemie International Edition

European Journal of Organic Chemistry

Mini-Reviews in Medicinal Chemistry

Coloration Technology

CrystEngComm

Journal of Medical Biochemistry

来源期刊

Physical Chemistry Chemical Physics

CiteScore: 5.5

自引率: 10.3%

年发文量: 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.

Statistical modeling of the reactions Fe+ + N2O → FeO+ + N2 and FeO+ + CO → Fe+ + CO2

文献信息

期刊推荐

相关文献

A portable immunomagnetic cell capture system to accelerate culture diagnosis of bacterial infections

Cooperative hydrogen-bonding of the adenine–thymine pair as a strategy for lowering the limit of detection of thymine by surface-enhanced Raman spectroscopy

Emerging paper microfluidic devices

Exonuclease III-assisted signal amplification strategy for sensitive fluorescence detection of polynucleotide kinase based on poly(thymine)-templated copper nanoparticles

Rapid detection of synthetic cannabinoids in herbal highs using surface-enhanced Raman scattering produced by gold nanoparticle co-aggregation in a wet system

SERS-based immunoassay using gold-patterned array chips for rapid and sensitive detection of dual cardiac biomarkers

Biosensor surface functionalization by a simple photochemical immobilization of antibodies: experimental characterization by mass spectrometry and surface enhanced Raman spectroscopy

A wavelength-resolved electrochemiluminescence resonance energy transfer ratiometric immunosensor for detection of cardiac troponin I

A ratiometric solvent polarity sensing Schiff base molecule for estimating the interfacial polarity of versatile amphiphilic self-assemblies

Ambient electrospray deposition Raman spectroscopy (AESD RS) using soft landed preformed silver nanoparticles for rapid and sensitive analysis

您可能还喜欢

P11(CAS号：848644-86-0)安全吗？

氨甲环酸杂质C(CAS号：330838-52-3)通常如何合成？

(±)-茉莉酸(CAS号：221682-41-3)通常如何合成？

(4S,4'S)-2,2'-(1,1-环己烷二基)双(4-异丙基-4,5-二氢-1,3-噁唑)(CAS号：1373357-00-6)安全吗？

什么是6-苄氧基-5-甲氧基-2-羧基吲哚(CAS号：2495-92-3)？

丙二酸丁酯乙酯(CAS号：17373-84-1)安全吗？

2-碘-3-甲基吡嗪(CAS号：58139-08-5)的市场或研究趋势如何？

千层纸素A-7-0-β-D-葡萄糖醛酸苷甲酯(CAS号：82475-01-2)的物理化学性质是什么？

什么是7-苄基-4,7-二氮杂螺[2.5]辛烷(CAS号：1222106-45-7)？

在合成中是否有丁酰胺酸甲酯(CAS号：53171-39-4)的替代品？

来源期刊

Physical Chemistry Chemical Physics

推荐化合物

4-(4-Methoxyphenyl)-5-methyl-1,3-thiazol-2-amine

1-(Bromomethyl)-2,4-dinitrobenzene

ethyl cyano(hydroxyimino)formate

4-(1,3-Dioxoisoindolin-2-yl)butanoyl chloride

Ethyl 4,5-dimethyloxazole-2-carboxylate

推荐供应商