相关论文: Benchmark Studies on the Isomerization Enthalpies …
Accurate enthalpies of formation are reported for known and potential astromolecules using high level ab initio quantum chemical calculations. A total of 130 molecules comprising of 31 isomeric groups and 24 cyanide/isocyanide pairs with…
Isomerism in complex organic molecules provides key insights into the formation mechanisms and physical conditions of the interstellar medium (ISM). Among the C$_2$H$_5$NO isomers, only acetamide and trans-N-methylformamide (trans-NMF) have…
The increasing detection of new molecules in the interstellar medium (ISM) shows that stereoisomerism is a fundamental contributor to interstellar molecular complexity. This work presents the first comprehensive overview of interstellar…
Cyanogen (NCCN) is the simplest member of the dicyanopolyynes group, and has been proposed as a major source of the CN radical observed in cometary atmospheres. Although not detected through its rotational spectrum in the cold interstellar…
We consider six isomeric groups (CH3N, CH5N, C2H5N, C2H7N, C3H7N and C3H9N) to review the presence of amines and aldimines within the interstellar medium (ISM). Each of these groups contains at least one aldimine or amine. Methanimine…
In an effort to further our interest in understanding basic chemistry of interstellar molecules, we carry out here an extensive investigation of the stabilities of interstellar carbon chains; Cn, H2Cn, HCnN and CnX (X=N, O, Si, S, H, P, H-,…
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…
Context. The detection of NH2CH2CH2OH (ethanolamine) in molecular cloud G+0.693-0.027 adds an additional player to the prebiotic molecules discovered so far in the interstellar medium (ISM). As this molecule might be formed through…
The study of molecules and their chemistry in star-forming regions is fundamental to understand the physical process occurring in such regions. The HCN and HNC J=1-0 emissions were used to derive their integrated line intensities (I), to…
Recent astronomical observations of both isomers E and Z of imines such as cyanomethanimine, ethanimine and 2-propyn-1-imine, have revealed that the abundances in the ISM of these isomers differ by factors of ~3-10. Several theories have…
The abundance of magnesium in the interstellar medium is a powerful probe of star formation processes over cosmological timescales. Magnesium has three stable isotopes, 24Mg, 25Mg, 26Mg, which can be produced both in massive and…
We survey the current situation regarding chemical modelling of the synthesis of molecules in the interstellar medium. The present state of knowledge concerning the rate coefficients and their uncertainties for the major gas-phase processes…
We investigate the relative efficiencies of low-temperature chemical reactions in the Interstellar medium (ISM) with H$^-$ anion reacting in the gas phase with cyanopolyyne neutral molecules, leading to the formation of anionic C$_x$N$^-$…
Observations of nearby galaxies have firmly established, over a broad range of galactic environments and metallicities, that star formation occurs exclusively in the molecular phase of the interstellar medium (ISM). Theoretical models show…
The increasing number of observations towards different environments in the Milky Way, as well as theoretical and experimental works, are improving our knowledge of the astrochemical processes in the interstellar medium (ISM). In this…
Almost 20% of the ~ 200 different species detected in the interstellar and circumstellar media present a carbon atom linked to nitrogen by a triple bond. Among these 37 molecules, 30 are nitrile R-CN compounds, the remaining seven belonging…
Because of their importance in biological systems, in our understanding of the solar system and in other applications, seven heterocycles; furan, imidazole, pyridine, pyrimidine, pyrrole, quinoline and isoquinoline have been astronomically…
A gas-phase formation route is proposed for the recently detected propargylimine molecule. In analogy to other imines, such as cyanomethanimine, the addition of a reactive radical (C$_2$H in the present case) to methanimine (CH$_2$NH})…
The astronomical observation of isopropyl cyanide further stresses the link between the chemical composition of the ISM and molecular composition of the meteorites in which there is a dominance of branched chain amino acids as compared to…
Our automated reaction discovery program, AutoMeKin, has been utilized to investigate the formation of glycolonitrile (HOCH$_{2}$CN) in the gas phase under the low temperatures of the interstellar medium (ISM). The feasibility of a proposed…