4.8 Article

Unconventional excited-state dynamics in the concerted benzyl (C7H7) radical self-reaction to anthracene (C14H10)

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Astronomy & Astrophysics

Polycyclic aromatic hydrocarbons in the Mukundpura (CM2) Chondrite

M. S. Kalpana et al.

Summary: Soluble polycyclic aromatic hydrocarbons (PAHs) were found in high yields in Mukundpura (MK) CM2 carbonaceous chondrite, including 2, 3, and 4 ring PAHs, as well as heterocyclic nitrogen and sulfur-containing compounds. The presence of significant alkylation products and the distribution of PAHs in MK were discussed in relation to its petrographic grade and aqueous alteration.

PLANETARY AND SPACE SCIENCE (2021)

Article Chemistry, Medicinal

Linking Coregulated Gene Modules with Polycyclic Aromatic Hydrocarbon-Related Cancer Risk in the 3D Human Bronchial Epithelium

Yvonne Chang et al.

Summary: This study evaluated the carcinogenic potential of PAH mixtures through transcriptomic and bioinformatic approaches in a 3D human bronchial epithelial cell model, finding over 3000 genes significantly correlated with RPF values, potential biomarkers for cancer risk evaluation. Analysis of gene sets revealed molecular mechanisms related to PAH cancer risk, linking genes to various cancer-relevant risk values and identifying pathways associated with cell cycle regulation, inflammation, DNA damage, and cell adhesion processes. Additionally, RPF values and IARC categorizations showed similar responses in gene modules, highlighting a novel integration of gene sets with chemical toxicity equivalence estimates for understanding potential mechanisms of PAH-related cancer risk.

CHEMICAL RESEARCH IN TOXICOLOGY (2021)

Article Multidisciplinary Sciences

Gas-phase synthesis of benzene via the propargyl radical self-reaction

Long Zhao et al.

Summary: The study provides compelling evidence that the self-recombination of two resonantly stabilized propargyl radicals in dilute environments can form the very first ringed aromatic benzene of PAHs. Along with benzene, other structural isomers and o-benzyne were detected and their branching ratios were experimentally quantified and verified with computational simulations. These results help uncover molecular growth pathways in various environments and improve our understanding of hydrocarbon chemistry in the universe.

SCIENCE ADVANCES (2021)

Article Chemistry, Multidisciplinary

A Unified Mechanism on the Formation of Acenes, Helicenes, and Phenacenes in the Gas Phase

Long Zhao et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)

Article Chemistry, Multidisciplinary

Toward the Synthesis of a Highly Strained Hydrocarbon Belt

Tan-Hao Shi et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)

Article Chemistry, Multidisciplinary

Dimerization of the Benzyl Radical in a High-Temperature Pyrolysis Reactor Investigated by IR/UV Ion Dip Spectroscopy

Florian Hirsch et al.

CHEMISTRY-A EUROPEAN JOURNAL (2018)

Article Chemistry, Physical

Functional Relationships between Kinetic, Flow, and Geometrical Parameters in a High-Temperature Chemical Microreactor

M. V. Zagidullin et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2018)

Article Chemistry, Physical

Formation Mechanisms of Naphthalene and Indene: From the Interstellar Medium to Combustion Flames

Alexander M. Mebel et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2017)

Article Chemistry, Physical

Polycyclic aromatic hydrocarbon (PAH) formation from benzyl radicals: a reaction kinetics study

Sourab Sinha et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)

Review Chemistry, Physical

Reaction Dynamics in Astrochemistry: Low-Temperature Pathways to Polycyclic Aromatic Hydrocarbons in the Interstellar Medium

Ralf I. Kaiser et al.

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 66 (2015)

Article Chemistry, Physical

Selective Formation of Indene through the Reaction of Benzyl Radicals with Acetylene

Dorian S. N. Parker et al.

CHEMPHYSCHEM (2015)

Article Chemistry, Multidisciplinary

Hydrogen Abstraction/Acetylene Addition Revealed

Dorian S. N. Parker et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2014)

Article Astronomy & Astrophysics

LARGE ABUNDANCES OF POLYCYCLIC AROMATIC HYDROCARBONS IN TITAN'S UPPER ATMOSPHERE

M. Lopez-Puertas et al.

ASTROPHYSICAL JOURNAL (2013)

Article Chemistry, Physical

Reformulation and Solution of the Master Equation for Multiple-Well Chemical Reactions

Yuri Georgievskii et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2013)

Article Thermodynamics

Modeling of two- and three-ring aromatics formation in the pyrolysis of toluene

Akira Matsugi et al.

PROCEEDINGS OF THE COMBUSTION INSTITUTE (2013)

Article Chemistry, Multidisciplinary

A Short, Rigid, Structurally Pure Carbon Nanotube by Stepwise Chemical Synthesis

Lawrence T. Scott et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)

Review Chemistry, Multidisciplinary

Molpro: a general-purpose quantum chemistry program package

Hans-Joachim Werner et al.

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)

Article Chemistry, Physical

Gaussian-4 theory

Larry A. Curtiss et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Chemistry, Physical

Structure of charge-transfer reaction complexes in anionic polymerization of isoprene: Quantum chemical calculations

KK Kalninsh et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2005)

Article Thermodynamics

Unravelling combustion mechanisms through a quantitative understanding of elementary reactions

JA Miller et al.

PROCEEDINGS OF THE COMBUSTION INSTITUTE (2005)