Exchange of volatile organic compounds between the atmosphere and the soil

Yang, Kaijun; Llusià, Joan; Preece, Catherine; Tan, Yu; Peñuelas, Josep

doi:10.1007/s11104-024-06524-x

Cited by 3 publications

(1 citation statement)

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“…Aliphatic alcohols also serve as precursors for the formation of secondary organic aerosols through gas-to-particle conversion processes, thus further influencing atmospheric radiative forcing, cloud formation, and regional climate patterns [ 24 , 25 ]. In this context, the deposition of VOCs and their oxidation products onto terrestrial and aquatic ecosystems can exert adverse ecological effects, ranging from phytotoxicity and nutrient imbalances to the disruption of microbial communities and biogeochemical cycles [ 26 , 27 , 28 ]. On the other hand, their implications for human health span from respiratory disorders [ 29 ] to neurological impairments [ 30 ] and carcinogenic effects [ 31 ].…”

Section: Introductionmentioning

confidence: 99%

Using Hybrid PDI-Fe3O4 Nanoparticles for Capturing Aliphatic Alcohols: Halogen Bonding vs. Lone Pair–π Interactions

Piña,

León,

Frontera

et al. 2024

IJMS

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In this study, Fe3O4 nanoparticles (FeNPs) decorated with halogenated perylene diimides (PDIs) have been used for capturing VOCs (volatile organic compounds) through noncovalent binding. Concretely, we have used tetrachlorinated/brominated PDIs as well as a nonhalogenated PDI as a reference system. On the other hand, methanol, ethanol, propanol, and butanol were used as VOCs. Experimental studies along with theoretical calculations (the BP86-D3/def2-TZVPP level of theory) pointed to two possible and likely competitive binding modes (lone pair–π through the π-acidic surface of the PDI and a halogen bond via the σ-holes at the Cl/Br atoms). More in detail, thermal desorption (TD) experiments showed an increase in the VOC retention capacity upon increasing the length of the alkyl chain, suggesting a preference for the interaction with the PDI aromatic surface. In addition, the tetrachlorinated derivative showed larger VOC retention times compared to the tetrabrominated analog. These results were complemented by several state-of-the-art computational tools, such as the electrostatic surface potential analysis, the Quantum Theory of Atoms in Molecules (QTAIM), as well as the noncovalent interaction plot (NCIplot) visual index, which were helpful to rationalize the role of each interaction in the VOC···PDI recognition phenomena.

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