Computational studies of gas phase reactions of carbon chain anions with N and O atoms

2010 ◽  
Vol 12 (40) ◽  
pp. 13091 ◽  
Author(s):  
Zhibo Yang ◽  
Theodore P. Snow ◽  
Veronica M. Bierbaum
2000 ◽  
Vol 609 ◽  
Author(s):  
Richard P. Muller ◽  
Jason K. Holt ◽  
David G. Goodwin ◽  
William A. Goddard

ABSTRACTGas phase chemistry is believed to play an important role in hot-wire CVD of amorphous silicon, serving to convert the highly-reactive atomic Si produced at the wire into a less-reactive species by reaction with ambient SiH4. In this paper, we use quantum chemistry computations (B3LYP/cc-pvTZ) to examine the energetics and rates of possible gas-phase reactions between Si and SiH4. The results indicate that formation of disilyne (Si2H2) is energetically favorable. Unlike other products of this reaction, Si2H2 does not require collisional stabilization, and thus this species is the most likely candidate for a benevolent precursor that participates in the growth of high-quality Si films.


2019 ◽  
Vol 628 ◽  
pp. A72 ◽  
Author(s):  
R. G. Urso ◽  
M. E. Palumbo ◽  
C. Ceccarelli ◽  
N. Balucani ◽  
S. Bottinelli ◽  
...  

Context. C2O and C3O belong to the carbon chain oxides family. Both molecules have been detected in the gas phase towards several star-forming regions, and to explain the observed abundances, ion-molecule gas-phase reactions have been invoked. On the other hand, laboratory experiments have shown that carbon chain oxides are formed after energetic processing of CO-rich solid mixtures. Therefore, it has been proposed that they are formed in the solid phase in dense molecular clouds after cosmic ion irradiation of CO-rich icy grain mantles and released in the gas phase after their desorption. Aims. In this work, we contribute to the understanding of the role of both gas-phase reactions and energetic processing in the formation of simple carbon chain oxides that have been searched for in various low-mass star-forming regions. Methods. We present observations obtained with the Noto-32m and IRAM-30 m telescopes towards star-forming regions. We compare these with the results of a gas-phase model that simulates C2O and C3O formation and destruction, and laboratory experiments in which both molecules are produced after energetic processing (with 200 keV protons) of icy grain mantle analogues. Results. New detections of both molecules towards L1544, L1498, and Elias 18 are reported. The adopted gas phase model is not able to reproduce the observed C2O/C3O ratios, while laboratory experiments show that the ion bombardment of CO-rich mixtures produces C2O/C3O ratios that agree with the observed values. Conclusions. Based on the results obtained here, we conclude that the synthesis of both species is due to the energetic processing of CO-rich icy grain mantles. Their subsequent desorption because of non-thermal processes allows the detection in the gas-phase of young star-forming regions. In more evolved objects, the non-detection of both C2O and C3O is due to their fast destruction in the warm gas.


Author(s):  
Victor N. Kondratiev ◽  
Evgeniĭ E. Nikitin

Author(s):  
Juan Z. Dávalos-Prado ◽  
Javier González ◽  
Josep M. Oliva-Enrich ◽  
Emma J. Urrunaga ◽  
Alexsandre F. Lago

2012 ◽  
Vol 1 (1) ◽  
pp. P46-P53 ◽  
Author(s):  
Ran Zuo ◽  
Haiqun Yu ◽  
Nan Xu ◽  
Xiaokun He

1957 ◽  
Vol 79 (17) ◽  
pp. 4609-4616 ◽  
Author(s):  
Adon A. Gordus ◽  
John E. Willard

1993 ◽  
Vol 168 (2) ◽  
pp. 177-181 ◽  
Author(s):  
E Borsella ◽  
S Botti ◽  
R Alexandrescu ◽  
I Morjan ◽  
T Dikonimos-Makris ◽  
...  

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