Can gas phase reactions produce complex oxygen-containing molecules in dense interstellar clouds? - A revision of some important radiative association rate coefficients

1987 ◽  
Vol 313 ◽  
pp. 867 ◽  
Author(s):  
Eric Herbst
Keyword(s):  
Gas Phase ◽  
Rate Coefficients ◽  
Gas Phase Reactions ◽  
Association Rate ◽  
Interstellar Clouds ◽  
Radiative Association

scholarly journals Theoretical Studies of Dense Cloud Chemistry

1987 ◽  
Vol 120 ◽  
pp. 235-244 ◽  
Author(s):  
Eric Herbst
Keyword(s):  
Gas Phase ◽  
Low Temperatures ◽  
Rate Coefficients ◽  
Theoretical Studies ◽  
Cloud Chemistry ◽  
Physical Processes ◽  
Gas Phase Reactions ◽  
Interstellar Clouds ◽  
Molecular Abundances ◽  
Quantitative Calculations

Based on analyses by a variety of investigators, it has become understood that gas phase reactions can account for much of the chemistry observed in dense interstellar clouds. However, quantitative calculations of molecular abundances utilizing gas phase reactions are beset with difficulties. These difficulties include uncertainties in needed rate coefficients at the low temperatures of interstellar clouds, uncertainties in the dynamics of physical processes such as cloud collapse and clumping, and uncertainties in our understanding of gasgrain interactions. New work in some of these areas and its impact on modelling is emphasized.

scholarly journals Experimental and computational kinetics investigations for the reactions of Cl atoms with series of unsaturated ketones in gas phase

2017 ◽  
Author(s):  
Siripina Vijayakumar ◽  
Avinash Kumar ◽  
Balla Rajakuma
Keyword(s):  
Gas Phase ◽  
State Theory ◽  
Rate Coefficients ◽  
Gas Phase Reactions ◽  
Temperature Dependent ◽  
Unsaturated Ketones ◽  
Temperature Range ◽  
Computational Calculations ◽  
Temperature Rate ◽  
Cl Atoms

Abstract. Temperature dependent rate coefficients for the gas phase reactions of Cl atoms with 4-hexen-3-one and 5-hexen-2-one were measured over the temperature range of 298–363 K relative to 1-pentene, 1,3-butadiene and isoprene. Gas Chromatography (GC) was used to measure the concentrations of the organics. The derived temperature dependent Arrhenius expressions are k4-hexen-3-one+Cl (298–363 K) = (2.82 ± 1.76)×10−12exp [(1556 ± 438)/T] cm3 molecule−1 s−1 and k5-hexen-2-one+Cl (298–363 K) = (4.6 ± 2.4)×10−11exp[(646 ± 171)/T] cm3 molecule−1 s−1. The corresponding room temperature rate coefficients are (5.54 ± 0.41)×10−10 cm3 molecule−1 s−1 and (4.00 ± 0.37)×10−10 cm3 molecule−1 s−1 for the reactions of Cl atoms with 4-hexen-3-one and 5-hexen-2-one respectively. To understand the mechanism of Cl atom reactions with unsaturated ketones, computational calculations were performed for the reactions of Cl atoms with 4-hexen-3-one, 5-hexen-2-one and 3-penten-2-one over the temperature range of 275–400 K using Canonical Variational Transition state theory (CVT) with Small Curvature Tunneling (SCT) in combination with CCSD(T)/6-31+G(d, p)//MP2/6-311++G(d, p) level of theory. Atmospheric implications, reaction mechanism and feasibility of the title reactions are discussed in this manuscript.

scholarly journals The Formation of Interstellar Molecules via Radiative Association Reactions

1980 ◽  
Vol 87 ◽  
pp. 323-324
Author(s):  
David Smith ◽  
Nigel G. Adams
Keyword(s):  
Rate Coefficients ◽  
Rate Data ◽  
Association Rate ◽  
Interstellar Molecules ◽  
Ion Molecule Reactions ◽  
Radiative Association ◽  
Temperature Dependences ◽  
Association Reaction

The radiative association rate coefficients and their temperature dependences have been estimated for several likely interstellar ion-molecule reactions from laboratory collisional association rate data. They include the CH3+ + H2 and CH3+ + H2O reactions, which we suggest lead to CH4 and CH3OH respectively, and the critical association reaction C+ + H2.

scholarly journals Astrochemistry of Interstellar Clouds: II. Molecular Formation in a Contracting Cloud

1987 ◽  
Vol 120 ◽  
pp. 273-274
Author(s):  
M.A. El Shalaby ◽  
A. Aiad
Keyword(s):  
Gas Phase ◽  
Optical Depth ◽  
Chemical Reactions ◽  
Particle Density ◽  
Interstellar Cloud ◽  
Gas Phase Reactions ◽  
Interstellar Clouds ◽  
Continous Function ◽  
Molecular Formation ◽  
Self Gravity

The chemistry of an 667 Mo interstellar cloud was studied using 142 reactions for 40 species during the contraction under self gravity in two steps. At first the contraction is allowed without gas phase reactions untill certain optical depth is reached. Secondly, at this optical depth the chemical reactions are started for sufficient cycles in a time dependant scheme till only very small additionally changes in the abundances occur. The so obtained, relative abundances and coulmn densities for different species represent a continous function of the optical depths. The values arround τ=6.3 represent the observations for H2, H2+, H3+, OH, OH+, CH, CH+, CH2, CH2+, CH3+, H2O and H3O+. The region of τ between 1 and 5 i.e. of particle density between 4 102–6 103 is the preferable formation place for the majority of molecules.

scholarly journals Recent Advances in the studies of Reaction Rates relevant to Interstellar Chemistry

1987 ◽  
Vol 120 ◽  
pp. 1-18
Author(s):  
Nigel G. Adams ◽  
David Smith
Keyword(s):  
Laboratory Data ◽  
Dissociative Recombination ◽  
Reaction Rates ◽  
Rate Coefficients ◽  
Current Status ◽  
Laboratory Measurements ◽  
Interstellar Molecules ◽  
Interstellar Clouds ◽  
Radiative Association ◽  
Molecular Synthesis

The current status of laboratory measurements of the rate coefficients for ionic reactions involved in interstellar molecular synthesis is discussed and the experimental techniques used to acquire such data are briefly described. Examples are given of laboratory data which are being obtained at temperatures close to those of interstellar clouds. Particular attention is given to the results of recent theoretical and experimental work which show that the rate coefficients for the binary reactions of ions with polar molecules at low temperatures are much larger than previously assumed. It is shown how these new developments in experiment and theory are reconciling the differences between predicted and observed abundances for some interstellar molecules. Also briefly discussed are: - the phenomenon of isotope exchange in ion/neutral reactions which explains the apparent enrichment of heavy isotopes in some interstellar molecules, the role of atoms in molecular synthesis, some studies of ion/neutral reactions pertaining to shocked regions of interstellar clouds, ternary association reactions and the analogous radiative association reactions, and recent new laboratory measurements of dissociative recombination coefficients. Finally, some guidance is offered in the proper choice of critical kinetic data for use in interstellar chemical modelling and some further requirements and likely future developments are mentioned.

Rate Coefficients for the Gas Phase Reactions of CF3CH2F (HFC-134a) with Chlorine and Fluorine Atoms:  Experimental and ab Initio Theoretical Studies

1997 ◽  
Vol 101 (45) ◽  
pp. 8503-8507 ◽  
Author(s):  
Florent Louis ◽  
Abdelmonaem Talhaoui ◽  
Jean-Pierre Sawerysyn ◽  
Marie-Thérèse Rayez ◽  
Jean-Claude Rayez
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Rate Coefficients ◽  
Theoretical Studies ◽  
Gas Phase Reactions ◽  
Hfc 134A
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