English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Zendy Plus

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Zendy Tools

Zendy Open

Iodine is enriched in marine aerosols, particularly in coastal mid-latitude atmospheric environments, where it initiates the formation of new aerosol particles with iodic acid (HIO 3 ) composition. However, particle formation in polluted and semipolluted locations is inhibited when the iodine monoxide radical (IO) is intercepted by NO 2 o form the iodine nitrate (IONO 2 ). The primary fate of IONO 2 is believed to be, besides photolysis, uptake by aerosol surfaces, leading to particulate iodine activation. Herein we have performed Born-Oppenheimer molecular dynamics (BOMD) simulations and gas-phase quantum chemical calculations to study the iodine acids-iodine nitrate [HIO  x  ( x = 2 and 3)-IONO 2 ] dynamics at the air-water interface modeled by a water droplet of 191 water molecules. The results indicate that IONO 2 does not react directly with these iodine acids, but forms an unusual kind of interaction with them within a few picoseconds, which is characterized as halogen bonding. The halogen bond-driven HIO 3 -IONO 2 complex at the air-water interface undergoes deprotonation and exists as IO 3  - -IONO 2 anion, whereas the HIO 2 -IONO 2 complex does not exhibit any proton loss to the interfacial water molecules. The gas-phase quantum chemical calculations suggest that the HIO 3 -IONO 2 and HIO 2 -IONO 2 complexes have appreciable stabilization energies, which are significantly enhanced upon deprotonation of iodine acids, indicating that these halogen bonds are fairly stable. These IONO 2 -induced halogen bonds explain the rapid loss of IONO 2 o background aerosol. Moreover, they appear to work against iodide formation. Thus, they may play an important role in enhancing the amount of atmospherically nonrecyclable iodine (iodate) in marine aerosol.

journal of the american chemical society

HIOx–IONO2 Dynamics at the Air–Water Interface: Revealing the Existence of a Halogen Bond at the Atmospheric Aerosol Surface