相关论文: Deuterated hydrogen chemistry: Partition functions…
We consider the possibility that solid molecular hydrogen is present in interstellar space. If so cosmic-rays and energetic photons cause ionisation in the solid leading to the formation of H6+. This ion is not produced by gas-phase…
Gas-phase and solid-state chemistry in low-temperature interstellar clouds and cores leads to a D/H enhancement in interstellar ices, which is eventually inherited by comets, meteorites, and even planetary satellites. Hence, the D/ H ratio…
We use spectra and maps of NH2D, ND2H, and ND3, obtained with the CSO, IRAM 30m and Arecibo telescopes, to study deuteration processes in dense cores. The data include the first detection of the hyperfine structure of ND2H. The emission of…
Deuterated molecules are important chemical tracers of prestellar and protostellar cores. Up to now, the titular reaction has been assumed to contribute to the generation of these deuterated molecules. We have measured the merged-beams rate…
Nucleon transfer reactions in low-energy deuteron-deuteron scattering are described by solving exact four-particle equations in momentum space. The Coulomb interaction between the protons is included using the screening and renormalization…
The chemistry in the diffuse interstellar medium initiates the gradual increase of molecular complexity during the life cycle of matter. A key molecule that enables build-up of new molecular bonds and new molecules via proton-donation is…
The hydronium cation plays a crucial role in interstellar oxygen and water chemistry. While its spectroscopy was extensively investigated earlier, the collisional excitation of H$_3$O$^+$ is not well studied yet. In this work we present…
We present the results of our studies of deuterated molecules (DCN, DNC, DCO$^+$, N$_2$D$^+$ and NH$_2$D) in regions of high-mass star formation, which include a survey of such regions with the 20-m Onsala radio telescope and mapping of…
In conjunction with ab initio potential energy and dipole moment surfaces for the electronic ground state, we have made a theoretical study of the radiative lifetimes for the hydronium ion H$_3$O$^{+}$ and its deuterated isotopologues. We…
The triatomic hydrogen ion (H$_3^+$) has spurred tremendous interest in astrophysics in recent decades, and Rydberg states of H$_3$ have also maintained an important role for understanding H$_3^+$ experiments. In a previous study [J. Chem.…
To correctly model the abundances of interstellar complex organic molecules (iCOMS) in different environments, both formation and destruction routes should be appropriately accounted for. While several scenarios have been explored for the…
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.…
The standard interstellar ratio of deuterium to hydrogen (D/H) atoms is $\sim 1.5 \times 10^{-5}$. However, the deuterium fractionation is in fact found to be enhanced, to different degrees, in cold, dark cores, hot cores around massive…
The differential cross section and the polarization observables for $\Delta $--isobar production in the deuteron electrodisintegration process, $e^-+d\to e^-+\Delta +N$, are calculated in a general formalism based on structure functions.…
Rate coefficients for inelastic Na+H collisions are calculated for all transitions between the ten levels up to and including the ionic state (ion-pair production), namely Na(3s,3p,4s,3d,4p,5s,4d,4f,5p)+H(1s) and Na+ + H-. The calculations…
Aims. In this work we rigorously show the shortcomings of various simplifications that are used to calculate the total internal partition function. These shortcomings can lead to errors of up to 40 percent or more in the estimated partition…
Full $NVT$ quantum statistics of the H$_3^+$ ion is simulated at low densities using the path integral Monte Carlo approach. For the first time, the molecular total energy, partition function, free energy, entropy and heat capacity are…
Deuteration is sensitive to environmental conditions in star-forming regions. To investigate NH$_2$D chemistry, we compared the spatial distribution of ortho-NH$_2$D $1_{11}^s-1_{01}^a$, NH$_3$(1,1) and NH$_3$(2,2) in 12 late-stage massive…
The availability of collisional rate coefficients is a prerequisite for an accurate interpretation of astrophysical observations, since the observed media often harbour densities where molecules are populated under non--LTE conditions. In…
We calculate ionization energies and fundamental vibrational transitions for H$_2^+$, D$_2^+$, and HD$^+$ molecular ions. The NRQED expansion for the energy in terms of the fine structure constant $\alpha$ is used. Previous calculations of…