Theoretical investigation of the dissociation chemistry of formyl halides in the gas phase

2020 ◽  
Vol 22 (35) ◽  
pp. 20069-20077
Author(s):  
Anchal Gahlaut ◽  
Manikandan Paranjothy
Keyword(s):  
Gas Phase ◽  
Theoretical Investigation ◽  
Crucial Role ◽  
Stratospheric Ozone ◽  
Dissociation Chemistry

Halogen substituted analogues of formaldehyde, HXCO (X = F, Cl, Br, and I), play a crucial role in the degradation of stratospheric ozone.

Spontaneous Generation of Stable Pnictinyl Radicals from “Jack-in-the-Box” Dipnictines:  A Solid-State, Gas-Phase, and Theoretical Investigation of the Origins of Steric Stabilization1

2001 ◽  
Vol 123 (37) ◽  
pp. 9045-9053 ◽  
Author(s):  
Sarah L. Hinchley ◽  
Carole A. Morrison ◽  
David W. H. Rankin ◽  
Charles L. B. Macdonald ◽  
Robert J. Wiacek ◽  
...  
Keyword(s):  
Solid State ◽  
Gas Phase ◽  
Theoretical Investigation ◽  
Spontaneous Generation

Experimental and theoretical investigation of gas phase complexes between chloride ion and some chloroethenes

1998 ◽  
Vol 179-180 ◽  
pp. 349-357 ◽  
Author(s):  
Alessandro Bagno ◽  
Anna Donò ◽  
Silvia Martinucci ◽  
Cristina Paradisi ◽  
Gianfranco Scorrano
Keyword(s):  
Gas Phase ◽  
Theoretical Investigation ◽  
Chloride Ion

scholarly journals Stratospheric ozone in the post-CFC era

2008 ◽  
Vol 8 (6) ◽  
pp. 20223-20237 ◽  
Author(s):  
F. Li ◽  
R. S. Stolarski ◽  
P. A. Newman
Keyword(s):  
Greenhouse Gas ◽  
21St Century ◽  
Crucial Role ◽  
Climate Model ◽  
Stratospheric Ozone ◽  
Advective Transport ◽  
Recent Past ◽  
Column Ozone ◽  
The Tropics

Abstract. Vertical and latitudinal changes in the stratospheric ozone in the post-chlorofluorocarbon (CFC) era are investigated using simulations of the recent past and the 21st century with a coupled chemistry-climate model. Model results reveal that, in the 2060s when the stratospheric halogen loading is projected to return to its 1980 values, the extratropical column ozone is significantly higher than that in 1975–1984, but the tropical column ozone does not recover to 1980 values. Upper and lower stratospheric ozone changes in the post-CFC era have very different patterns. Above 15 hPa ozone increases almost latitudinally uniformly by 6 Dobson Unit (DU), whereas below 15 hPa ozone decreases in the tropics by 8 DU and increases in the extratropics by up to 16 DU. The upper stratospheric ozone increase is a photochemical response to greenhouse gas induced strong cooling, and the lower stratospheric ozone changes are consistent with enhanced mean advective transport due to a stronger Brewer-Dobson circulation. The model results suggest that the strengthening of the Brewer-Dobson circulation plays a crucial role in ozone recovery and ozone distributions in the post-CFC era.

scholarly journals A theoretical investigation of the reaction between the amidogen, NH, and the ethyl, C2H5, radicals: a possible gas-phase formation route of interstellar and planetary ethanimine

2018 ◽  
Vol 13 ◽  
pp. 30-37 ◽  
Author(s):  
Nadia Balucani ◽  
Dimitrios Skouteris ◽  
Cecilia Ceccarelli ◽  
Claudio Codella ◽  
Stefano Falcinelli ◽  
...  
Keyword(s):  
Gas Phase ◽  
Phase Formation ◽  
Theoretical Investigation

Theoretical investigation of the reactivity in the C–F bond activation of CH3F by Lu+ in the gas phase

2006 ◽  
Vol 431 (4-6) ◽  
pp. 223-226 ◽  
Author(s):  
Ze-Yu Liu ◽  
Yong-Cheng Wang ◽  
Zhi-Yuan Geng ◽  
Xiao-Yan Yang ◽  
Han-Qing Wang
Keyword(s):  
Gas Phase ◽  
Theoretical Investigation ◽  
Bond Activation

scholarly journals An experimental, theoretical and kinetic-modeling study of the gas-phase oxidation of ammonia

2020 ◽  
Vol 5 (4) ◽  
pp. 696-711 ◽  
Author(s):  
Alessandro Stagni ◽  
Carlo Cavallotti ◽  
Suphaporn Arunthanayothin ◽  
Yu Song ◽  
Olivier Herbinet ◽  
...  
Keyword(s):  
Kinetic Model ◽  
Gas Phase ◽  
Theoretical Investigation ◽  
Kinetic Modeling ◽  
Ammonia Gas ◽  
Wide Range ◽  
Phase Oxidation ◽  
Detailed Kinetic Model ◽  
Gas Phase Oxidation ◽  
Modeling Study

A wide-range experimental and theoretical investigation of ammonia gas-phase oxidation is performed, and a predictive, detailed kinetic model is developed.

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