IMPACT OF INSERTION REACTION OF O(1D) INTO THE CARBONIC ACID MOLECULE IN THE ATMOSPHERE OF EARTH AND MARS
In this talk, we present the energetics and kinetics of the insertion reaction of the $O(^1D)$ into the $H_2CO_3$ molecule that finally produces the percarbonic acid $[H_2C(O)O_3]$ molecule $(H_2CO_3 + O(^1D)rightarrow H_2C(O)O_3)$. The rate constants have been calculated by the Variable-Reaction-Co...
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ftunivillidea:oai:www.ideals.illinois.edu:2142/97035 2023-05-15T15:52:43+02:00 IMPACT OF INSERTION REACTION OF O(1D) INTO THE CARBONIC ACID MOLECULE IN THE ATMOSPHERE OF EARTH AND MARS Ghoshal, Sourav Hazra, Montu K. 6/23/2017 http://hdl.handle.net/2142/97035 https://doi.org/10.15278/isms.2017.FA10 English eng International Symposium on Molecular Spectroscopy http://hdl.handle.net/2142/97035 APS doi:10.15278/isms.2017.FA10 Planetary atmospheres Text CONFERENCE PAPER/PRESENTATION 2017 ftunivillidea https://doi.org/10.15278/isms.2017.FA10 2018-07-07T22:30:30Z In this talk, we present the energetics and kinetics of the insertion reaction of the $O(^1D)$ into the $H_2CO_3$ molecule that finally produces the percarbonic acid $[H_2C(O)O_3]$ molecule $(H_2CO_3 + O(^1D)rightarrow H_2C(O)O_3)$. The rate constants have been calculated by the Variable-Reaction-Coordinate Variational Transition State Theory $(VRC-VTST)$. From our results, we show that the rate constants of the insertion reaction are significantly higher than the rate constants associated with the $H_2O$-assisted $H_2CO_3$ decomposition $(H_2CO_3 + H_2O rightarrow CO_2 + 2H_2O)$, acetic acid $(AA)$-assisted $H_2CO_3$ decomposition $(H_2CO_3 + AA rightarrow CO_2 + H_2O + AA)$ and OH radical-initiated $H_2CO_3$ degradation reaction $(H_2CO_3 + OH^{bf .} rightarrow HCO_3^{bf .} + H_2O)$ $-$which are currently assumed to be the potentially important reaction channels to interpret the atmospheric loss of the $H_2CO_3$ molecule in the Earth. Finally, we also discuss the potential impact of the H$_2$O-assisted $H_2CO_3$ decomposition reaction, OH radical-initiated $H_2CO_3$ degradation reaction and the above-mentioned insertion reaction on equal footing toward the loss of $H_2CO_3$ molecule, especially, in the surface of Mars._x000d_ Text Carbonic acid University of Illinois at Urbana-Champaign: IDEALS (Illinois Digital Environment for Access to Learning and Scholarship) Proceedings of the 72nd International Symposium on Molecular Spectroscopy 1 1 |
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Open Polar |
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University of Illinois at Urbana-Champaign: IDEALS (Illinois Digital Environment for Access to Learning and Scholarship) |
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ftunivillidea |
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English |
topic |
Planetary atmospheres |
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Planetary atmospheres Ghoshal, Sourav IMPACT OF INSERTION REACTION OF O(1D) INTO THE CARBONIC ACID MOLECULE IN THE ATMOSPHERE OF EARTH AND MARS |
topic_facet |
Planetary atmospheres |
description |
In this talk, we present the energetics and kinetics of the insertion reaction of the $O(^1D)$ into the $H_2CO_3$ molecule that finally produces the percarbonic acid $[H_2C(O)O_3]$ molecule $(H_2CO_3 + O(^1D)rightarrow H_2C(O)O_3)$. The rate constants have been calculated by the Variable-Reaction-Coordinate Variational Transition State Theory $(VRC-VTST)$. From our results, we show that the rate constants of the insertion reaction are significantly higher than the rate constants associated with the $H_2O$-assisted $H_2CO_3$ decomposition $(H_2CO_3 + H_2O rightarrow CO_2 + 2H_2O)$, acetic acid $(AA)$-assisted $H_2CO_3$ decomposition $(H_2CO_3 + AA rightarrow CO_2 + H_2O + AA)$ and OH radical-initiated $H_2CO_3$ degradation reaction $(H_2CO_3 + OH^{bf .} rightarrow HCO_3^{bf .} + H_2O)$ $-$which are currently assumed to be the potentially important reaction channels to interpret the atmospheric loss of the $H_2CO_3$ molecule in the Earth. Finally, we also discuss the potential impact of the H$_2$O-assisted $H_2CO_3$ decomposition reaction, OH radical-initiated $H_2CO_3$ degradation reaction and the above-mentioned insertion reaction on equal footing toward the loss of $H_2CO_3$ molecule, especially, in the surface of Mars._x000d_ |
author2 |
Hazra, Montu K. |
format |
Text |
author |
Ghoshal, Sourav |
author_facet |
Ghoshal, Sourav |
author_sort |
Ghoshal, Sourav |
title |
IMPACT OF INSERTION REACTION OF O(1D) INTO THE CARBONIC ACID MOLECULE IN THE ATMOSPHERE OF EARTH AND MARS |
title_short |
IMPACT OF INSERTION REACTION OF O(1D) INTO THE CARBONIC ACID MOLECULE IN THE ATMOSPHERE OF EARTH AND MARS |
title_full |
IMPACT OF INSERTION REACTION OF O(1D) INTO THE CARBONIC ACID MOLECULE IN THE ATMOSPHERE OF EARTH AND MARS |
title_fullStr |
IMPACT OF INSERTION REACTION OF O(1D) INTO THE CARBONIC ACID MOLECULE IN THE ATMOSPHERE OF EARTH AND MARS |
title_full_unstemmed |
IMPACT OF INSERTION REACTION OF O(1D) INTO THE CARBONIC ACID MOLECULE IN THE ATMOSPHERE OF EARTH AND MARS |
title_sort |
impact of insertion reaction of o(1d) into the carbonic acid molecule in the atmosphere of earth and mars |
publisher |
International Symposium on Molecular Spectroscopy |
publishDate |
2017 |
url |
http://hdl.handle.net/2142/97035 https://doi.org/10.15278/isms.2017.FA10 |
genre |
Carbonic acid |
genre_facet |
Carbonic acid |
op_relation |
http://hdl.handle.net/2142/97035 APS doi:10.15278/isms.2017.FA10 |
op_doi |
https://doi.org/10.15278/isms.2017.FA10 |
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Proceedings of the 72nd International Symposium on Molecular Spectroscopy |
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1766387828715945984 |