IMPACT OF INSERTION REACTION OF O(1D) INTO THE CARBONIC ACID MOLECULE IN THE ATMOSPHERE OF EARTH AND MARS

• Published in: Proceedings of the 72nd International Symposium on Molecular Spectroscopy
• Main Author: Ghoshal, Sourav
• Other Authors: Hazra, Montu K.
• Format: Text
• Language: English
• Published: International Symposium on Molecular Spectroscopy 2017
• Subjects: Planetary atmospheres; Carbonic acid
• Online Access: http://hdl.handle.net/2142/97035; https://doi.org/10.15278/isms.2017.FA10

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_