相关论文: Formation of aromatics in rich methane flames dope…
Ultraviolet (UV) processing in the insterstellar medium (ISM) induces the dehydrogenation of hydrocarbons. Aliphatics, including alkanes, are present in different interstellar environments, being prevalently formed in evolved stars; thus,…
The partial oxidation of methane was investigated using a self-stirred reactor under a wide range of operating conditions. The recation mechanism was determined by comparing ecperimental results with the results of simulations made using…
New bio-based diamines were successfully synthesized from vanillin and fully characterized. These amines, methylated divanillylamine (MDVA) and 3,4-dimethoxydianiline (DMAN), were then used as curing agent with epoxy monomers. Epoxy…
Oxygen atom addition and insertion reactions may provide a pathway to chemical complexity in ices that are too cold for radicals to diffuse and react. We have studied the ice-phase reactions of photo-produced oxygen atoms with C2…
Based on our comprehensive theoretical investigation and known experimental results for small boron clusters, we predict the existence of a novel aromatic inorganic molecule, B12H6. This molecule, which we refer to as borozene, has…
In order to improve the understanding of the low temperature combustion of ethanol, high-level ab initio calculations were performed for elementary reactions involving hydroxyethylperoxy radicals. These radicals come from the addition of…
We report the first detection in the interstellar medium of the Z-isomer of cyanomethanimine (HNCHCN), an HCN dimer proposed as precursor of adenine. We identified six transitions of Z-cyanomethanimine, along with five transitions of…
The rich molecular structures of polycyclic aromatic hydrocarbons -- essentially planar flakes of fused benzene rings -- and their fullerene cousins are revealed through their vibrational and electronic spectra.
We report the detection of two isomers of ethynyl cyclopentadiene (c-C5H5CCH), namely 1- and 2-ethynyl-1,3-cyclopentadiene, in the direction of TMC-1. We derive column densities of (1.4 +/- 0.2)e12 cm-2, and (2.0 +/- 0.4)e12 cm-2,…
We report a high-pressure high-temperature synthesis of several millimeter-sized samples of bulk graphanes with the composition C-H(D) from benzene and graphene-derivative C-H-N$_{0.2}$ from pyridine. X-ray diffraction, transmission…
Hydrogen addition and abstraction reactions play an important role as surface reactions in the buildup of complex organic molecules in the dense interstellar medium. Addition reactions allow unsaturated bonds to be fully hydrogenated, while…
Methanol (CH3OH) is thought to form on interstellar ice dust via successive hydrogenation reactions. The reaction between CH3 and OH radicals could also conceivably generate methanol at temperatures above approximately 20 K, at which…
Polycyclic aromatic hydrocarbons (PAHs) have been proposed as potential carriers of the unidentified infrared bands (UIRs) and the diffuse interstellar bands (DIBs). PAHs are not likely to form by gas-phase or solid-state interstellar…
Understanding of recently reported putative close-to-room-temperature superconductivity in C-S-H compounds at 267 GPa demands reproducible synthesis protocol as well as knowledge of its structure and composition. We synthesized C-S-H…
Methyl cyanide (CH$_3$CN) is one of the most abundant and widely spread interstellar complex organic molecules (iCOMs). Several studies found that, in hot corinos, methyl cyanide and methanol abundances are correlated suggesting a chemical…
Aromatic compounds form an unusual kind of hydrogen bond with water and ammonia molecules, known as the $\pi$-hydrogen bond. In this work, we report ab initio path integral molecular dynamics simulations enhanced by machine-learning…
The early stages of flame dynamics and the development and evolution of tulip flames in closed tubes of various aspect ratios and in a semi-open tube are studied by solving the fully compressible reactive Navier-Stokes equations using a…
The first vapor phase self-assembled heterocatalytic structure on surface is build from cobalt 5,10,15,20 tetrakis (4-aminophenyl)-21H, 23H-porphine through imide bonds. This heterogeneous catalyst possesses essential thermal and temporal…
Hydrogen-enrichment of conventional natural gas mixtures is an actively-explored strategy for reducing pollutant emissions from combustion. This study investigates the effect of hydrogen enrichment on the unsteady flame response to…
Nitrogen-bearing polycyclic aromatic hydrocarbons (N-PAHs) are key precursors to complex organic molecules in both the interstellar medium and the nitrogen-rich planetary atmospheres. Despite the recent detections of nitrogen-functionalized…