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Modification and Functionalization of the Guanidine Group by Tailor-made Precursors
Published on: April 27, 2017
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Guanidine: A Highly Efficient Stabilizer in Atmospheric New-Particle Formation
Nanna Myllys1, Tuomo Ponkkonen1, Monica Passananti1
1Institute for Atmospheric and Earth System Research/Physics , University of Helsinki , P.O. Box 64, 00014 Helsinki , Finland.
The Journal of Physical Chemistry. A
|April 26, 2018
Summary
Guanidine significantly enhances sulfuric acid-driven new-particle formation, forming stable clusters with low evaporation rates. It is far more effective than dimethylamine, even at lower concentrations.
Area of Science:
- Atmospheric Chemistry
- Chemical Physics
Background:
- New-particle formation (NPF) is a key process in atmospheric aerosol.
- Understanding the role of bases in NPF is crucial for climate modeling.
Purpose of the Study:
- Investigate the role of guanidine, a strong organobase, in sulfuric acid-driven NPF.
- Compare guanidine's efficiency with dimethylamine in NPF.
Main Methods:
- Utilized quantum chemical methods for molecular-level simulations.
- Employed molecular cluster formation simulations.
- Validated theoretical findings with mass spectrometer measurements.
Main Results:
- Guanidine and sulfuric acid form stable clusters with a 1:1 composition and minimal thermodynamic barriers.
- Guanidine-based clusters exhibit extremely low evaporation rates due to proton transfer and symmetry.
- Guanidine is over 2000 times more effective than dimethylamine in enhancing NPF.
Conclusions:
- Highly basic compounds like guanidine can explain NPF events at low precursor concentrations.
- Less basic compounds like ammonia and amines likely explain NPF at high concentrations.
- Guanidine dramatically increases particle formation rates compared to dimethylamine.
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