Thermochemical Trends in Carbon Chain Molecules HC2kH/HC2k-1H (k = 1–6) Studied by Explicitly Correlated CCSD(T)-F12b Composite Methods

2021 ◽  
Author(s):  
Chow-Shing Lam ◽  
Kai-Chung Lau
Keyword(s):  
Carbon Chain ◽  
Chain Molecules ◽  
Composite Methods ◽  
Explicitly Correlated

scholarly journals Activity of the first interstellar comet 2I/Borisov around perihelion: results from Indian observatories

2021 ◽  
Vol 502 (3) ◽  
pp. 3491-3499
Author(s):  
K Aravind ◽  
Shashikiran Ganesh ◽  
Kumar Venkataramani ◽  
Devendra Sahu ◽  
Dorje Angchuk ◽  
...  
Keyword(s):  
Solar System ◽  
Production Rate ◽  
Rate Ratio ◽  
Carbon Chain ◽  
Astronomical Observatory ◽  
Nucleus Size ◽  
Chain Molecules ◽  
Molecular Emission ◽  
Imaging And Spectroscopy ◽  
Gas Ratio

ABSTRACT Comet 2I/Borisov is the first true interstellar comet discovered. Here, we present results from observational programs at two Indian observatories, 2 m Himalayan Chandra Telescope at the Indian Astronomical Observatory, Hanle (HCT) and 1.2 m telescope at the Mount Abu Infrared Observatory (MIRO). Two epochs of imaging and spectroscopy were carried out at the HCT and three epochs of imaging at MIRO. We found CN to be the dominant molecular emission on both epochs, 2019 November 30 and December 22, at distances of rH = 2.013 and 2.031 au, respectively. The comet was inferred to be relatively depleted in Carbon bearing molecules on the basis of low C2 and C3 abundances. We find the production rate ratio, Q(C2)/Q(CN) = 0.54 ± 0.18, pre-perihelion and Q(C2)/Q(CN) = 0.34 ± 0.12 post-perihelion. This classifies the comet as being moderately depleted in carbon chain molecules. Using the results from spectroscopic observations, we believe the comet to have a chemically heterogeneous surface having variation in abundance of carbon chain molecules. From imaging observations, we infer a dust-to-gas ratio similar to carbon chain depleted comets of the Solar system. We also compute the nucleus size to be in the range 0.18 km ≤ r ≤ 3.1 km. Our observations show that 2I/Borisov’s behaviour is analogous to that of the Solar system comets.

scholarly journals Carbon-chain molecules in molecular outflows and Lupus I region – new producing region and new forming mechanism

2019 ◽  
Vol 488 (1) ◽  
pp. 495-511
Author(s):  
Yuefang Wu ◽  
Xunchuan Liu ◽  
Xi Chen ◽  
Lianghao Lin ◽  
Jinghua Yuan ◽  
...  
Keyword(s):  
Radio Telescope ◽  
Molecular Cloud ◽  
Carbon Chain ◽  
Species Range ◽  
Chain Molecules ◽  
Forming Mechanism ◽  
Molecular Outflows ◽  
Chemical Models ◽  
Cloud Complex

Abstract Using the new equipment of the Shanghai Tian Ma Radio Telescope, we have searched for carbon-chain molecules (CCMs) towards five outflow sources and six Lupus I starless dust cores, including one region known to be characterized by warm carbon-chain chemistry (WCCC), Lupus I-1 (IRAS 15398-3359), and one TMC-1 like cloud, Lupus I-6 (Lupus-1A). Lines of HC3N J = 2 − 1, HC5N J = 6 − 5, HC7N J = 14 − 13, 15 − 14, 16 − 15, and C3S J = 3 − 2 were detected in all the targets except in the outflow source L1660 and the starless dust core Lupus I-3/4. The column densities of nitrogen-bearing species range from 1012 to 1014 cm−2 and those of C3S are about 1012 cm−2. Two outflow sources, I20582+7724 and L1221, could be identified as new carbon-chain-producing regions. Four of the Lupus I dust cores are newly identified as early quiescent and dark carbon-chain-producing regions similar to Lup I-6, which together with the WCCC source, Lup I-1, indicate that carbon-chain-producing regions are popular in Lupus I which can be regard as a Taurus-like molecular cloud complex in our Galaxy. The column densities of C3S are larger than those of HC7N in the three outflow sources I20582, L1221, and L1251A. Shocked carbon-chain chemistry is proposed to explain the abnormal high abundances of C3S compared with those of nitrogen-bearing CCMs. Gas-grain chemical models support the idea that shocks can fuel the environment of those sources with enough S+ thus driving the generation of S-bearing CCMs.

Ion-molecule reactions with carbon chain molecules: reactions with diacetylene and the diacetylene cation

1986 ◽  
Vol 64 (4) ◽  
pp. 641-648 ◽  
Author(s):  
Seksan Dheandhanoo ◽  
Leonard Forte ◽  
Arnold Fox ◽  
Diethard K. Bohme
Keyword(s):  
Carbon Chain ◽  
Heat Of Formation ◽  
Buffer Gas ◽  
Proton Affinities ◽  
Chain Molecules ◽  
Ion Flow ◽  
Molecule Reaction ◽  
Ion Molecule Reactions ◽  
A Value ◽  
Selected Ion Flow Tube

Reactions of hydrocarbon and carbon/nitrogen ions with diacetylene and of the diacetylene radical cation with various molecules have been examined with a view to molecular growth by ion–molecule reaction. Measurements were performed with a Selected-Ion Flow Tube (SIFT) apparatus at 296 ± 2 K of the rate constants and product distributions for the reactions of C+, CH3+, C2H2+, C3H+, CN+, C2N+, and C2N2+ with C4H2 and of C4H2+ with H2, CO, C2H2, C2N2, and C4H2. Condensation and association reactions which build up the carbon content of the ion were observed to compete with charge transfer. For the reactions of CN+ and C2N2+ with C4H2 this growth involved the addition of cyanide to the carbon chain. The kinetics of protonation of diacetylene were also investigated. It was possible to bracket the proton affinity of diacetylene between the known proton affinities of HCN and CH3OH with a value for PA(C4H2) = 177 ± 5 kcal mol−1, which results in a heat of formation for C4H3+ of 305 ± 5 kcal mol−1. Numerous secondary association reactions were observed to form adduct ions in helium buffer gas at total pressures of a few tenths of a Torr with rates near the collision rate. This was the case for C6H4+ (C4H2+•C2H2), C7H5+ (C3H3+•C4H2), C8H4+ (C4H2+•C4H2), C8H5+ (C4H3+•C4H2), C9H3+ (C5H+•C4H2), C9H4+ (C5H2+•C4H2), C9H5 (C5H3+•C4H2), C10H4+ (C6H2+•C4H2), C10H5+ (C6H3+•C4H2), C11H7+ (C3H3+•(C4H2)2), C12H6+ (C4H2+•(C4H2)2), C9H3N+ (HC5N+•C4H2), and C10H4N+ (C2N+•(C4H2)2) where the reactants are indicated in parentheses. The observed high rates of association imply the formation of chemical bonds in the adduct ions but the structures of these ions were not resolved experimentally. In most instances there seems little basis for preferring acyclic over cyclic adduct ions.

Inelastic rate coefficients for collisions of C4H− with H2

2021 ◽  
Author(s):  
Christian Balança ◽  
Ernesto Quintas-Sánchez ◽  
Richard Dawes ◽  
Fabien Dumouchel ◽  
François Lique ◽  
...  
Keyword(s):  
Cross Sections ◽  
Rotational Level ◽  
Carbon Chain ◽  
Rate Coefficients ◽  
Thermodynamical Equilibrium ◽  
Close Coupling ◽  
State Approximation ◽  
Explicitly Correlated ◽  
State Rate ◽  
Chemical Conditions

Abstract Carbon-chain anions were recently detected in the interstellar medium. These very reactive species are used as tracers of the physical and chemical conditions in a variety of astrophysical environments. However, the Local Thermodynamical Equilibrium conditions are generally not fulfilled in these environments. Therefore, collisional as well as radiative rates are needed to accurately model the observed emission lines. We determine in this work the state-to-state rate coefficients of C4H− in collision with both ortho- and para-H2. A new ab initio 4D potential energy surface was computed using explicitly-correlated coupled cluster procedures. This surface was then employed to determine rotational excitation and de-excitation cross sections and rate coefficients for the first 21 rotational levels (up to rotational level j1 = 20) using the close-coupling method, while the coupled-state approximation was used to extend the calculations up to j1 = 30. State-to-state rate coefficients were obtained for the temperature range 2–100 K. The differences between the ortho- and para-H2 rate coefficients are found to be small.

Long Carbon Chain Molecules in the Laboratory and in Space

1980 ◽  
pp. 59-65 ◽  
Author(s):  
G. Winnewisser ◽  
F. Toelle ◽  
H. Ungerechts ◽  
C. M. Walmsley
Keyword(s):  
Carbon Chain ◽  
Chain Molecules

Mapping observations of sulfur-containing carbon-chain molecules in Taurus Molecular Cloud 1 (TMC-1)

1992 ◽  
Vol 394 ◽  
pp. 539 ◽  
Author(s):  
Yasuhiro Hirahara ◽  
Hiroko Suzuki ◽  
Satoshi Yamamoto ◽  
Kentarou Kawaguchi ◽  
Norio Kaifu ◽  
...  
Keyword(s):  
Molecular Cloud ◽  
Carbon Chain ◽  
Chain Molecules ◽  
Sulfur Containing ◽  
Taurus Molecular Cloud

scholarly journals Long Carbon Chain Molecules in the Laboratory and in Space

1980 ◽  
Vol 87 ◽  
pp. 59-65 ◽  
Author(s):  
G. Winnewisser ◽  
F. Toelle ◽  
H. Ungerechts ◽  
C. M. Walmsley
Keyword(s):  
Radio Frequency ◽  
Hydrogen Cyanide ◽  
Carbon Chain ◽  
Remarkable Property ◽  
Chain Molecules ◽  
Temperature Changes ◽  
Hydrogen Addition ◽  
Heavy Atoms ◽  
Hydrogen Isocyanide ◽  
Radio Frequency Discharge

The unsaturated long carbon chain molecules of the type HC2n+1N (with n=1,2..) have the remarkable property of being very stable under a wide variety of different laboratory and interstellar conditions. In fact, they can be synthesized in the laboratory under the action of a radio frequency discharge in a mixture of acetylene, HCCH, and hydrogen cyanide, HCN (Creswell et al. 1977, Winnewisser et al. 1978). Once they are formed they are for example very stable towards temperature changes as well as saturation of the carbon bonds due to hydrogen addition. In the laboratory their chief cause of destruction is polymerization. These experiments were triggered by our observation that in the course of producing hydrogen isocyanide, HNC, (Creswell et al. 1976) by reacting CH3I with N2in a gas discharge, also small amounts of HC3N were present which clearly requires the joining together of four heavy atoms from different starting molecules.

Circumstellar carbon-chain molecules. Prediction of the infrared spectrum of SiC4

1989 ◽  
Vol 164 (5) ◽  
pp. 517-519 ◽  
Author(s):  
N. Moazzen-Ahmadi ◽  
F. Zerbetto
Keyword(s):  
Infrared Spectrum ◽  
Carbon Chain ◽  
Chain Molecules
Sign in / Sign up

Export Citation Format

Share Document