相关论文: OD + CO -> D + CO2 Branching Kinetics Probed with …
The kinetics of the OH + CO reaction, fundamental to both atmospheric and combustion chemistry, are complex due to the formation of the HOCO intermediate. Despite extensive studies on this reaction, HOCO has not been observed at thermal…
Quantitative and mechanistically-detailed kinetics of the reaction of hydroxyl radical (OH) with carbon monoxide (CO) have been a longstanding goal of contemporary chemical kinetics. This fundamental prototype reaction plays an important…
We use time-resolved direct frequency comb spectroscopy in the mid-infrared to obtain high-resolution rovibrational spectra of products produced from the OD+CO reaction. In this work, we present spectral analyses for isotopologues of the…
Branching ratios for fragmentation channels of important meta- and unstable species are essential for a molecular-level characterization of atmospheric chemistry. Here, the molecular product channels for the decomposition dynamics of the…
The gas-phase reaction of $\mathrm{O}+\mathrm{H}_3^+$ has two exothermic product channels, $\mathrm{OH}^+ +\mathrm{H}_2$ and $\mathrm{H}_2\mathrm{O}^+ +\mathrm{H}$. In the present study, we analyze experimental data from a merged-beams…
Aims: Our aims are threefold: a) To compare the $uv$ and mm-wave results; b) to interpret 13CO and 12CO abundances in terms of the physical processes which separately and jointly determine them; c) to interpret observed J=1-0 rotational…
The latest molecular data - potential energy curves and Rydberg$/$valence interactions - characterizing the super-excited electronic states of CO are reviewed, in order to provide inputs for the study of their fragmentation dynamics.…
The turn-over frequency of the catalytic oxidation of CO at RuO2(110) was calculated as function of temperature and partial pressures using ab initio statistical mechanics. The underlying energetics of the gas-phase molecules, dissociation,…
The formation of deuterated molecules is favoured at low temperatures and high densities. Therefore, the deuteration fraction D$_{frac}$ is expected to be enhanced in cold, dense prestellar cores and to decrease after protostellar birth.…
In this work we investigate the dissociation of CO$_2$ on Cu(110) by performing density functional theory calculations using the vdW-DF2 exchange-correlation functional, with a potential energy surface parameterized using artificial neural…
The kinetics of MgO$^+$ + CH$_4$ was studied experimentally using the variable ion source, temperature adjustable selected ion flow tube (VISTA-SIFT) apparatus from 300 $-$ 600 K and computationally by running and analyzing reactive…
Using arguments parallel to those used in support of using H2CO as a sensitive probe of temperature and density in molecular clouds, we measured the J=7-6 and J=10-9 transitions of thioformaldehyde (H2CS) in several hot core sources. The…
We aim to reproduce the DCO$^+$ emission in the disk around HD163296 using a simple 2D chemical model for the formation of DCO$^+$ through the cold deuteration channel and a parametric treatment of the warm deuteration channel. We use data…
Modeling the chemistry of molecular clouds is critical to accurately simulating their evolution. To reduce computational cost, 3D simulations generally restrict their chemistry to species with strong heating and cooling effects.…
Complex organic molecules (COMs) are detected in many regions of the interstellar medium, including prestellar cores. However, their formation mechanisms in cold (~10 K) cores remain to this date poorly understood. The formyl radical HCO is…
Deuterium fractionation can constrain the physical and chemical conditions at the early stage of brown dwarf formation. We present IRAM 30m observations over a wide frequency range of 213-279 GHz of singly and doubly deuterated species of…
Plasma processes are an innovative approach for the decomposition of CO2 in O radicals and CO as a valuable carbon source. In this experimental work, a tubular dielectric barrier discharge operating at atmospheric pressure has been used to…
We developed a mid-infrared optical frequency comb-based Fourier-transform spectrometer and performed a line-shape study of the fundamental vibrational band of CO perturbed by N${_2}$, which is crucial for atmospheric science and…
Time-resolved vibrational spectroscopy constitutes an invaluable experimental tool for monitoring hot-carrier induced surface reactions. However, the absence of a full understanding on the precise microscopic mechanisms causing the…
From mapping observations of H2CO, HDCO, and D2CO, we have determined how the degree of deuterium fractionation changes over the central 3'x3' region of rho Oph A. The multi-transition data of the various H2CO isotopologues, as well as from…