Theoretical Study on the Mechanisms of Catalytic Hydration of Diiodine Trioxide in Marine Regions

Yan Liang; Xiuhui Zhang; Wenguo Xu

doi:10.1051/e3sconf/202129001001

All issues

Volume 290 (2021)

E3S Web Conf., 290 (2021) 01001

References

Open Access

Issue		E3S Web Conf. Volume 290, 2021 2021 3^rd International Conference on Geoscience and Environmental Chemistry (ICGEC 2021)


Article Number		01001
Number of page(s)		4
Section		Environmental Chemistry and Chemical Technology Application
DOI		https://doi.org/10.1051/e3sconf/202129001001
Published online		14 July 2021

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[1] MurphyD.M. RavishankaraA.R. Trends and patterns in the contributions to cumulative radiative forcing from different regions of the world. Proc Natl Acad Sci U S A. 115,52 (2018) [Google Scholar]

[2] GongJ.C. Zhu T. Kipen H. et al. Comparisons of Ultrafine and Fine Particles in Their Associations with Biomarkers Reflecting Physiological Pathways. Environ Sci Technol. 48, 9 (2014) [Google Scholar]

[3] Glasow R. Seaweed, Iodine, New Particles and Atmospheric Chemistry - The Current State of Play. Environ Chem. 2, 4 (2005) [Google Scholar]

[4] Dall´Osto M. Simo R. HarrisonR.M.et al. Abiotic and biotic sources influencing spring new particle formation in North East Greenland. Atmos Environ. 190 (2018). [Google Scholar]

[5] McFiggans G. Coe H. Burgess R. et al. Direct evidence for coastal iodine particles from Laminaria macroalgae -linkage to emissions of molecular iodine. Atmos Chem Phys. 4 (2004) [Google Scholar]

[6] Jimenez J.L Bahreini R. Cocker III D.R. et al. New particle formation from photooxidation of diiodomethane (CH2I2). J Geophys Res. 108, D10 (2003) [Google Scholar]

[7] Saiz-Lopez A. Plane J.M.C. Novel iodine chemistry in the marine boundary layer. Geophys Res Lett. 31, 4 (2004) [Google Scholar]

[8] Saiz-Lopez A. PlaneJ.M. BakerA.R. et al. Atmospheric Chemistry of Iodine. Chem Rev. 112, 3 (2012) [Google Scholar]

[9] Galvez O. Gomez Martin J.C. GomezP.C. et al. A theoretical study on the formation of iodine oxide aggregates and monohydrates. Phys Chem Chem Phys. 15, 3 (2013) [Google Scholar]

[10] Gomez Martin J.C. Galvez O. Baeza-Romero M.T. et al. On the mechanism of iodine oxide particle formation. Phys Chem Chem Phys. 15, 37 (2013) [Google Scholar]

[11] FrischM.J. TrucksG.W. SchlegelH.B. et al. Gaussian 09, Revision A.1, Gaussian, Inc. Wallingford, CT. (2009) [Google Scholar]

[12] PetersonK.A. Systematically Convergent Basis Sets with Relativistic Pseudopotentials. I. Correlation Consistent Basis Sets for the Post-D Group 13–15 Elements. J Chem Phys. 119, 21 (2003) [Google Scholar]

[13] Feller D. The role of databases in support of computational chemistry calculations. J Comput Chem. 17, 13 (1996) [Google Scholar]

[14] SchuchardtK.L. DidierB.T. Elsethagen T. et al. Basis set exchange: a community database for computational sciences. J Chem Inf Model. 47, 3 (2007) [Google Scholar]

[15] PetersonK.A. Systematically Convergent Basis Sets with Relativistic Pseudopotentials. I. Correlation Consistent Basis Sets for the Post-D Group 13–15 Elements. J Chem Phys. 119, 21 (2003) [Google Scholar]

[16] Lu T. Chen F. Multiwfn: a multifunctional wavefunction analyzer. J Comput Chem, 33, 5 (2012) [Google Scholar]

[17] Humphrey W. Dalke A. Schulten K. VMD: visual molecular dynamics. J Mol Graph. 14, 1 (1996) [Google Scholar]

[18] Mohan N. Suresh C.H. A molecular electrostatic potential analysis of hydrogen, halogen, and dihydrogen bonds. J Phys Chem A. 118, 9 (2014) [Google Scholar]

[19] YouZ.S.; Guo C. Pan Y.J. An experimental and theoretical study on fragmentation of protonated N-(2-pyridinylmethyl) indole in electrospray ionization mass spectrometry. Rapid Commun Mass Spectrom. 26, (2012) [Google Scholar]

[20] KimM.C. Sim E. Burke K. Understanding and reducing errors in density functional calculations. Phys Rev Lett. 111,7 (2013) [Google Scholar]

[21] Sipila M. Sarnela N. Jokinen T. et al. Molecular-scale evidence of aerosol particle formation via sequential addition of HIO₃. Nature. 537, 7621 (2016) [Google Scholar]