Optical constants in the infrared for K_2SO_4, NH_4H_2PO_4, and H_2SO_4 in water*

Querry, Marvin R.; Waring, Richard C.; Holland, Wayne E.; Earls, Leonard M.; Herrman, Mary D.; Nijm, William P.; Hale, George M.

doi:10.1364/josa.64.000039

Cited by 40 publications

(44 citation statements)

References 16 publications

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“…The main exception to this "water as a tag" mechanism is found at the lowest excitation energies probed, the region from 600 to 800 cm Figure 5 compares condensed phase IR spectra to those of the tagged clusters (n = 0). The bulk results include pure H 2 SO 4 amorphous and crystalline thin film spectra measured by Horn et al 46 and spectra of aqueous HSO 4 − containing no molecular H 2 SO 4 from Querry et al 50 The thin film results show three clusters of peaks around 900−1150, 1100−1200, and 1350−1450 cm −1 , which sharpen upon cooling to 190 K (amorphous film → crystalline film). These results are from films of molecular H 2 SO 4 formed in high-vacuum chambers by evaporation of trace H 2 O.…”

Section: Analysis and Discussionmentioning

confidence: 99%

Vibrational Spectroscopy of Bisulfate/Sulfuric Acid/Water Clusters: Structure, Stability, and Infrared Multiple-Photon Dissociation Intensities

et al. 2013

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ABSTRACT:The structure and stability of mass-selected bisulfate, sulfuric acid, and water cluster anions, HSO 4 − (H 2 SO 4 ) m (H 2 O) n , are studied by infrared photodissociation spectroscopy aided by electronic structure calculations. The triply hydrogen-bound HSO 4 − (H 2 SO 4 ) configuration appears as a recurring motif in the bare clusters, while incorporation of water disrupts this stable motif for clusters with m > 1. Infrared-active vibrations predominantly involving distortions of the hydrogenbound network are notably missing from the infrared multiplephoton dissociation (IRMPD) spectra of these ions but are fully recovered by messenger-tagging the clusters with H 2 . A simple model is used to explain the observed "IRMPD transparency".

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Section: Analysis and Discussionmentioning

confidence: 99%

Vibrational Spectroscopy of Bisulfate/Sulfuric Acid/Water Clusters: Structure, Stability, and Infrared Multiple-Photon Dissociation Intensities

et al. 2013

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“…Until now, the optical constants of sulfuric acid have only been determined from bulk solutions over a limited range of conditions [Querry et al, 1974;Remsberg et al, 1974;Pinkley and Williams, 1976]. Most noteworthy is the work of Palmer and Williams (PW) [1975], which is widely used in atmospheric modeling [Arnold, 1992;Wooldridge et al, 1995;Kiehl and Briegleb, 1993].…”

Section: Introductionmentioning

confidence: 99%

Temperature‐ and composition‐dependent infrared optical constants for sulfuric acid

Niedziela¹,

Norman²,

Miller³

et al. 1998

Geophysical Research Letters

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Abstract. Complex refractive indices have been retrieveddirectly from the FT-IR extinction spectra of laboratorygenerated, binary sulfuric acid/water aerosols over a range of temperatures and compositions relevant to the atmosphere of Earth. The refractive indices are strongly dependent upon both' temperature and composition, due to changes in the equilibrium between sulfate and bisulfate ions and the resultant change in the corresponding solvation interactions. The present results have important implications for determining the composition of sulfuric acid aerosols by remote sensing applications.

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“…As observed in Fig. 8a, there were prominent losses of intensities for bands at 1420 cm À1 (carboxylic acid OH) (Smith, 1998), 1180 and 1030 cm À1 (sulfate species) (Niki et al, 1980;Querry et al, 1974), accompanied with increased intensities of the peaks of water when RH increased. The gradual loss in the intensities of these polar functional groups may be caused by increasing amounts of water adsorbed on them as RH increased.…”

Section: à3mentioning

confidence: 64%

“…Additionally, one shoulder peak at 1386 cm À1 was attributed to the aliphatic CeH plane deformations of CH 3 group (Santamaria et al, 2006) and another shoulder peak at 1420 cm À1 was related to the in-plane OH bending mode of carboxylic acid (Smith, 1998). The peak at 1710 cm À1 in the spectra of rich flame soot was assigned to the carbonyl (C¼O) group (Han et al, 2012a ) (Kirchner et al, 2003;Niki et al, 1980;Popovicheva, 2004;Querry et al, 1974;Smith et al, 1989;Zhang et al, 1993) (referred to as sulfate species) were found in the spectra of rich flame soot and lean flame soot, which suggested that sulfate species were generated on soot. Furthermore, because adsorption peaks at~3284 and~1440 cm À1 may be contributed by ammonium ions (Coates, 2000), ammonium ions on lean flame soot generated from fuel containing sulfur were determined with IC.…”

Section: Functional Groups On Sootmentioning

confidence: 98%

Influence of sulfur in fuel on the properties of diffusion flame soot

Zhao

2016

Atmospheric Environment

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h i g h l i g h t sLean flame soot was influenced more by sulfur in fuel than rich flame soot. Sulfate species were mainly formed on the surface of soot. The diameter of primary lean flame soot from high sulfur content fuel increased. The hygroscopicity of lean flame soot from high sulfur content fuel increased. a r t i c l e i n f o a b s t r a c tPrevious studies indicate that sulfur in fuel affects the hygroscopicity of soot. However, the issue of the effect of sulfur in fuel on soot properties is not fully understood. Here, the properties of soot prepared from fuel with a variable sulfur content were investigated under lean and rich flame conditions. Lean flame soot was influenced more by sulfur in fuel than rich flame soot. The majority of sulfur in fuel in lean flame was converted to gaseous SO 2 , while a small fraction appeared as sulfate and bisulfate (referred to as sulfate species) in soot. As the sulfur content in fuel increased, sulfate species in lean flame soot increased nonlinearly, while sulfate species on the surface of lean flame soot increased linearly. The hygroscopicity of lean flame soot from sulfur-containing fuel was enhanced mainly due to sulfate species. Meanwhile, more alkynes were formed in lean flame. The diameter of primary lean flame soot particles increased and accumulation mode particle number concentrations of lean flame soot from sulfurcontaining fuel increased as a result of more alkynes. Because the potential effects of soot particles on air pollution development greatly depend on the soot properties, which are related to both chemical aging and combustion conditions, this work will aid in understanding the impacts of soot on air quality and climate.

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Optical constants in the infrared for K_2SO_4, NH_4H_2PO_4, and H_2SO_4 in water*

Cited by 40 publications

References 16 publications

Vibrational Spectroscopy of Bisulfate/Sulfuric Acid/Water Clusters: Structure, Stability, and Infrared Multiple-Photon Dissociation Intensities

Vibrational Spectroscopy of Bisulfate/Sulfuric Acid/Water Clusters: Structure, Stability, and Infrared Multiple-Photon Dissociation Intensities

Temperature‐ and composition‐dependent infrared optical constants for sulfuric acid

Influence of sulfur in fuel on the properties of diffusion flame soot

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