scholarly journals Discovery of the propargyl radical (CH2CCH) in TMC-1: One of the most abundant radicals ever found and a key species for cyclization to benzene in cold dark clouds

Author(s):  
M. Agundez ◽  
C. Cabezas ◽  
B. Tercero ◽  
N. Marcelino ◽  
J. D. Gallego ◽  
...  
2019 ◽  
Author(s):  
Hassan Harb ◽  
Lee Thompson ◽  
Hrant Hratchian

Lanthanide hydroxides are key species in a variety of catalytic processes and in the preparation of corresponding oxides. This work explores the fundamental structure and bonding of the simplest lanthanide hydroxide, LnOH (Ln=La-Lu), using density functional theory calculations. Interestingly, the calculations predict that all structures of this series will be linear. Furthermore, these results indicate a valence electron configuration featuring an occupied sigma orbital and two occupied pi orbitals for all LnOH compounds, suggesting that the lanthanide-hydroxide bond is best characterized as a covalent triple bond.


2019 ◽  
Author(s):  
Hassan Harb ◽  
Lee Thompson ◽  
Hrant Hratchian

Lanthanide hydroxides are key species in a variety of catalytic processes and in the preparation of corresponding oxides. This work explores the fundamental structure and bonding of the simplest lanthanide hydroxide, LnOH (Ln=La-Lu), using density functional theory calculations. Interestingly, the calculations predict that all structures of this series will be linear. Furthermore, these results indicate a valence electron configuration featuring an occupied sigma orbital and two occupied pi orbitals for all LnOH compounds, suggesting that the lanthanide-hydroxide bond is best characterized as a covalent triple bond.


PLoS ONE ◽  
2019 ◽  
Vol 14 (2) ◽  
pp. e0210419 ◽  
Author(s):  
Cecilie Hansen ◽  
Kenneth F. Drinkwater ◽  
Anne Jähkel ◽  
Elizabeth A. Fulton ◽  
Rebecca Gorton ◽  
...  

2021 ◽  
Vol 503 (4) ◽  
pp. 5274-5290
Author(s):  
A K Sen ◽  
V B Il’in ◽  
M S Prokopjeva ◽  
R Gupta

ABSTRACT We present the results of our BVR-band photometric and R-band polarimetric observations of ∼40 stars in the periphery of the dark cloud CB54. From different photometric data, we estimate E(B − V) and E(J − H). After involving data from other sources, we discuss the extinction variations towards CB54. We reveal two main dust layers: a foreground, E(B − V) ≈ 0.1 mag, at ∼200 pc and an extended layer, $E(B-V) \gtrsim 0.3$ mag, at ∼1.5 kpc. CB54 belongs to the latter. Based on these results, we consider the reason for the random polarization map that we have observed for CB54. We find that the foreground is characterized by low polarization ($P \lesssim 0.5$ per cent) and a magnetic field parallel to the Galactic plane. The extended layer shows high polarization (P up to 5–7 per cent). We suggest that the field in this layer is nearly perpendicular to the Galactic plane and both layers are essentially inhomogeneous. This allows us to explain the randomness of polarization vectors around CB54 generally. The data – primarily observed by us in this work for CB54, by A. K. Sen and colleagues in previous works for three dark clouds CB3, CB25 and CB39, and by other authors for a region including the B1 cloud – are analysed to explore any correlation between polarization, the near-infrared, E(J − H), and optical, E(B − V), excesses, and the distance to the background stars. If polarization and extinction are caused by the same set of dust particles, we should expect good correlations. However, we find that, for all the clouds, the correlations are not strong.


2020 ◽  
Vol 500 (3) ◽  
pp. 3414-3424
Author(s):  
Alec Paulive ◽  
Christopher N Shingledecker ◽  
Eric Herbst

ABSTRACT Complex organic molecules (COMs) have been detected in a variety of interstellar sources. The abundances of these COMs in warming sources can be explained by syntheses linked to increasing temperatures and densities, allowing quasi-thermal chemical reactions to occur rapidly enough to produce observable amounts of COMs, both in the gas phase, and upon dust grain ice mantles. The COMs produced on grains then become gaseous as the temperature increases sufficiently to allow their thermal desorption. The recent observation of gaseous COMs in cold sources has not been fully explained by these gas-phase and dust grain production routes. Radiolysis chemistry is a possible non-thermal method of producing COMs in cold dark clouds. This new method greatly increases the modelled abundance of selected COMs upon the ice surface and within the ice mantle due to excitation and ionization events from cosmic ray bombardment. We examine the effect of radiolysis on three C2H4O2 isomers – methyl formate (HCOOCH3), glycolaldehyde (HCOCH2OH), and acetic acid (CH3COOH) – and a chemically similar molecule, dimethyl ether (CH3OCH3), in cold dark clouds. We then compare our modelled gaseous abundances with observed abundances in TMC-1, L1689B, and B1-b.


2019 ◽  
Vol 101 ◽  
pp. 541-551 ◽  
Author(s):  
Liu Yang ◽  
Liming Lai ◽  
Jihua Zhou ◽  
Sangui Yi ◽  
Qinglin Sun ◽  
...  

2011 ◽  
Vol 741 (2) ◽  
pp. 120 ◽  
Author(s):  
J. M. Rathborne ◽  
G. Garay ◽  
J. M. Jackson ◽  
S. Longmore ◽  
Q. Zhang ◽  
...  

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