Atmospheric Detection of Water Dimers via Near-Infrared Absorption

Pfeilsticker, Klaus; Lotter, Andreas; Peters, C. W.; Bösch, H.

doi:10.1126/science.1082282

Cited by 154 publications

(217 citation statements)

References 21 publications

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“…A field measurement in the near-infrared has revealed a relatively high concentration of 6 x 10 14 molecule cm -3 of water dimer in the atmosphere (Pfeilsticker et al 2003). This finding has been reproduced very well by a theoretical study (Dunn et al, 2004).…”

Section: Water-assisted Gas Phase Reactionssupporting

confidence: 68%

Reactivity Trends in Radical-Molecule Tropospheric Reactions - A Quantum Chemistry and Computational Kinetics Approach

Iuga¹,

Galano²,

Alvarez-Idaboy³

et al. 2012

Atmospheric Model Applications

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Section: Water-assisted Gas Phase Reactionssupporting

confidence: 68%

Reactivity Trends in Radical-Molecule Tropospheric Reactions - A Quantum Chemistry and Computational Kinetics Approach

Iuga¹,

Galano²,

Alvarez-Idaboy³

et al. 2012

Atmospheric Model Applications

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“…Comparison of several previous theoretical results for P (H2O)2 and the experimental results from Pfeilsticker et al 22 is made to our new results from VRT(ASP-W)III in Table 2. All of the previous theoretical results shown were calculated within a simplistic harmonic oscillator approximation, and the largest P (H2O)2 obtained is equal to the predicted value from VRT(ASP-W)III, which is ca.…”

Section: Discussionmentioning

confidence: 99%

“…However, our more rigorous partition function calculation at 292.4 K yields results of ∆H°) -14.24 kJ/mol, ∆S°) -66.68 J/mol K, and K P (292.4K) ) 0.1151 atm -1 . Thus, slight variations in ∆H°and 47 41 × 10 -3 Suck et al 13 11 × 10 -3 Mhin et al 56 21 × 10 -3 Braun and Leidecker 57 54 × 10 -3 Pfeilsticker et al (292.4 K) 22 18 × 10 -3 ∆S°(ca. 10-15% in this example) can have large ramifications in the approximation used by Pfeilsticker et al due to the exponential dependence of K P (T).…”

Section: Discussionmentioning

confidence: 99%

Water Dimers in the Atmosphere II: Results from the VRT(ASP-W)III Potential Surface

2004

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We report refined results for the equilibrium constant for water dimerization (K P ), computed as a function of temperature via fully coupled 6D calculation of the canonical (H 2 O) 2 partition function on VRT(ASP-W)III, the most accurate water dimer potential energy surface currently available. Partial pressure isotherms calculated for a range of temperatures and relative humidities indicate that water dimers can exist in sufficient concentrations (e.g., 10 18 m -3 at 30°C and 100% relative humidity) to affect physical and chemical processes in the atmosphere. The determinations of additional thermodynamic properties (∆G, ∆H, ∆S, C P , and C V ) for (H 2 O) 2 are presented, and the role of quasi-bound states in the calculation of K P is discussed at length.

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“…Water complexes have been suggested as potential contributors to climate by their absorption in the mid-IR and the near-IR (31). Water dimer has only recently been investigated and observed in the atmosphere (30,44). The estimates suggest that the vibrational overtone transitions of (H 2 O) 2 in the near-IR contribute as much as 3 W m Ϫ2 to absorption of solar radiation in the tropical atmosphere (31).…”

mentioning

confidence: 99%

Molecular complexes in close and far away

Klemperèr

Vaida

2006

Proc. Natl. Acad. Sci. U.S.A.

110

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In this review, gas-phase chemistry of interstellar media and some planetary atmospheres is extended to include molecular complexes. Although the composition, density, and temperature of the environments discussed are very different, molecular complexes have recently been considered as potential contributors to chemistry. The complexes reviewed include strongly bound aggregates of molecules with ions, intermediate-strength hydrogen bonded complexes (primarily hydrates), and weakly bonded van der Waals molecules. In low-density, low-temperature environments characteristic of giant molecular clouds, molecular synthesis, known to involve gas-phase ion-molecule reactions and chemistry at the surface of dust and ice grains is extended here to involve molecular ionic clusters. At the high density and high temperatures found on planetary atmospheres, molecular complexes contribute to both atmospheric chemistry and climate. Using the observational, laboratory, and theoretical database, the role of molecular complexes in close and far away is discussed.P lanetary atmospheres and interstellar media have traditionally been lumped together; they are complex dynamical entities whose understanding has been and continues to be a challenge. That this subject is new may be appreciated by the fact that the knowledge that hydrogen is the abundant element of the universe is less than 100 years old. Hydrogen and helium comprise more than 99% of the universe. Thus, interstellar chemistry must be quite different from that of the atmospheres of the minor planets Mars, Earth, and Venus. Conceding the dominance of hydrogen and helium on the cosmic scale and even in the major planets, more complex molecules than H 2 attract our attention and dominate our thinking (1-4).An understanding of the chemistry of the universe must involve a wide range of processes. A bit of history with respect to interstellar chemistry is relevant to our perspective. The observed interstellar molecules, CH, CH ϩ , and CN, are quantitatively discussed by Herbig (5) in his classic study of z Oph. These species have optical transitions in spectral regions where Earth's atmosphere is transparent. It was assumed that in interstellar clouds, which were translucent and thus bathed in the galactic radiation field, the major components were atomic. Because the average density of the galaxy is 1 atom cm Ϫ1 (6) three-body processes were readily dismissed. Kramers and ter Haar (7) in 1946 presented a calculation for the formation of CH by the radiative association of C and H, i.e., C ϩ H ϭ CH ϩ photon. In 1951 Bates and Spitzer (8) showed that the CH calculated formation rate was seriously incorrect and with that ruled out synthesis by gas-phase association. Their concluding statement ushered in a lengthy period with emphasis on molecular synthesis on grain surfaces under a variety of conditions (3,(9)(10)(11).With the advent of molecular radioastronomy (12) the molecular character of giant molecular clouds could be examined. These are the largest structures within the gala...

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Atmospheric Detection of Water Dimers via Near-Infrared Absorption

Cited by 154 publications

References 21 publications

Reactivity Trends in Radical-Molecule Tropospheric Reactions - A Quantum Chemistry and Computational Kinetics Approach

Reactivity Trends in Radical-Molecule Tropospheric Reactions - A Quantum Chemistry and Computational Kinetics Approach

Water Dimers in the Atmosphere II: Results from the VRT(ASP-W)III Potential Surface

Molecular complexes in close and far away

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