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DOE OSTI2020

Materials Data on NaIO4 by Materials Project

NaIO4 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one NaIO4 sheet oriented in the (0, 0, 1) direction. Na is bonded to seven O atoms to form distorted edge-sharing NaO7 pentagonal bipyramids. There are a spread of Na–O bond distances ranging from 2.31–2.76 Å. There are four inequivalent O sites. In the first O site, O is bonded to three equivalent Na and one I atom to form a mixture of distorted edge and corner-sharing ONa3I trigonal pyramids. The O–I bond length is 1.83 Å. In the second O site, O is bonded in a 3-coordinate geometry to two equivalent Na and one I atom. The O–I bond length is 1.83 Å. In the third O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.86 Å. In the fourth O site, O is bonded in an L-shaped geometry to two equivalent Na atoms. I is bonded in a distorted trigonal non-coplanar geometry to three O atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on NaIO4 by Materials Project

NaIO4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Na is bonded in a 8-coordinate geometry to eight equivalent O atoms. There are four shorter (2.58 Å) and four longer (2.65 Å) Na–O bond lengths. O is bonded in a distorted trigonal planar geometry to two equivalent Na and one I atom. The O–I bond length is 1.80 Å. I is bonded in a tetrahedral geometry to four equivalent O atoms.

36 MATERIALS SCIENCE↗

NASA NTRS2012

Concentration Effects and Ion Properties Controlling the Fractionation of Halides during Aerosol Formation

During the aerosolization process at the sea surface, halides are incorporated into aerosol droplets, where they may play an important role in tropospheric ozone chemistry. Although this process may significantly contribute to the formation of reactive gas phase molecular halogens, little is known about the environmental factors that control how halides selectively accumulate at the air−water interface. In this study, the production of sea spray aerosol is simulated using electrospray ionization (ESI) of 100 nM equimolar solutions of NaCl, NaBr, NaI, NaNO2, NaNO3, NaClO4, and NaIO4. The microdroplets generated are analyzed by mass spectrometry to study the comparative enrichment of anions (f (Isub x-)) and their correlation with ion properties. Although no correlation exists between f (sub x-) and the limiting equivalent ionic conductivity, the correlation coefficient of the linear fit with the size of the anions R(sub x-), dehydration free-energy ΔGdehyd, and polarizability alpha, follows the order: (R(sub x-)(exp −2)) > (R(sub x-)(exp −1)) >(R(sub x-) > delta G(sub dehyd) > alpha. The same pure physical process is observed in H2O and D2O. The factor f (sub x-) does not change with pH (6.8−8.6), counterion (Li+, Na+, K+, and Cs+) substitution effects, or solvent polarity changes in methanol − and ethanol−water mixtures (0 <= xH2O <= 1). Sodium polysorbate 20 surfactant is used to modify the structure of the interface. Despite the observed enrichment of I− on the air−water interface of equimolar solutions, our results of seawater mimic samples agree with a model in which the interfacial composition is increasingly enriched in I− < Br− < Cl− over the oceanic boundary layer due to concentration effects in sea spray aerosol formation.

iodine↗