Uptake of Hydrogen Bonding Molecules by Benzene Nanoparticles

Vinklárek, Ivo S.; Pysanenko, Andriy; Pluhařová, Eva; Fárnı́k, Michal

doi:10.1021/acs.jpclett.2c00835

Cited by 8 publications

(28 citation statements)

References 68 publications

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“…This determines the occurrence of strong “long-range” vibronic couplings involving hydrogen bonds adjacent within the chains of (COOH) 2 cycles. The coplanar structure enables the contact of cyclized functional groups, which is confirmed by research in this field, in which was found for a wide range of model systems ,,,,− ,− ,− the field of dependencies between the electronic structure and the intensity of cooperative interactions. In order to interpret the infrared polarized spectra of single crystals of systems, which indicate the occurrence of such interactions, the Davydov coupling seems to be the appropriate mechanism leading to a comprehensive explanation of the effects of the temperature on the IR spectra of systems forming cyclic dimers.…”

Section: Interpretation and Physical Discussionmentioning

confidence: 57%

Elucidating the Infrared Spectral Properties of Succinic Molecular Acid Crystals: Illustration of the Structure and the Hydrogen Bond Energies of the Crystal and Its Deuterated Analogs

et al. 2022

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Herein, the infrared spectroscopic properties of molecular succinic acid crystals (SA) and their four isotopic analogs [C 2 H 4 (COOH) 2 , h 6 -SA; C 2 H 4 (COOD) 2 , d 2 -SA; C 2 D 4 (COOH) 2 , d 4 -SA; C 2 D 4 (COOD) 2 , d 6 -SA] are reported. The correlation between the structure of succinic acid molecules and their corresponding hydrogen bond energies is elucidated. The effects related to the isotopic dilution as well as the changes in the spectrum recording temperature on the fine structures of the v O−H and v O−D bands are interpreted. The infrared spectral anomalies detected in the spectra of isotopically neat succinic nanocrystal acids are confirmed by theoretical calculations using density functional theory (DFT). According to previous spectroscopic studies of succinic acid and those carried out for α,ω-dicarboxylic acids, a decent agreement between the experimental results and the theoretical DFT simulations is obtained. Moreover, the spectra of single crystals of the h 6 and d 4 succinic acid variants prove that the vibrational coupling mechanism between the (COOH) 2 cycles is rigorously convergent to that detected in the spectra of aromatic carboxylic acids, suggesting thereby that the promotion of symmetryforbidden high stretching IR transitions plays a crucial role. Furthermore, the obtained experimental results reveal that the succinic acid shows a spectral behavior significantly different from that characteristic of hydrogen associations of other acids of homologous series, such as the glutaric, adipic, malonic, and pimelic acid crystals. The results obtained herein shed light on the way to explore the revealed structure of isotopic derivatives of succinic acid crystals and may prove to be useful results for understanding the nature of unconventional interactions as well as the macroscopic energy effects directing the development of hydrogen associations.

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Section: Interpretation and Physical Discussionmentioning

confidence: 57%

Elucidating the Infrared Spectral Properties of Succinic Molecular Acid Crystals: Illustration of the Structure and the Hydrogen Bond Energies of the Crystal and Its Deuterated Analogs

et al. 2022

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“…These effects have been discussed in details in our previous publications. 26 Fig. 1(b) and (c) show the negatively charged cluster ion spectra upon attachment of electrons with a kinetic energy of 6.0 eV and 1.3 eV, respectively.…”

Section: Resultsmentioning

confidence: 99%

Stabilization of benzene radical anion in ammonia clusters

Pysanenko

Bergmeister

Scheier

et al. 2022

Phys. Chem. Chem. Phys.

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“…The experimental procedures exploited here have been described in our recent study of uptake of small hydrogenbonding molecules by benzene nanoparticles. 41 A brief description of the experiment is outlined below, and further details can be found in the Supporting Information.…”

Section: Methodsmentioning

confidence: 99%

Uptake of Molecules by Polyaromatic Hydrocarbon Nanoparticles

Poterya,

Vinklárek,

Pysanenko

et al. 2024

ACS Earth Space Chem.

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Polycyclic aromatic hydrocarbons (PAHs) are omnipresent in the Earth's atmosphere and detected in many regions of the interstellar space. Large PAH clusters (nanoparticles) can mimic soot and aerosol particles in the Earth's atmosphere as well as PAH ice grains in space. We investigate PAH nanoparticles in a molecular beam experiment and the uptake of different atmospherically and astrochemically relevant molecules by these nanoparticles. In our recent article [J. Phys. Chem. Lett. 2022, 13, 3781−3788], we have established a new method to determine the relative uptake ratios for hydrogen-bonding molecules on benzene nanoparticles of average radius of about 2 nm. Here, we extend the method from benzene nanoparticles to more complex PAH N of naphthalene, anthracene, phenanthrene, and pyrene, including also the five-membered ring containing PAHs indene and fluoranthene. The uptake of small molecules water, methanol, ethanol, ammonia, methane, oxygen, and carbon dioxide is investigated, and uptake ratios are determined to assess differences in the pickup of these molecules by PAH nanoparticles. We discuss the mobility and coagulation of the molecules on these nanoparticles. Investigating the uptake and accommodation of different molecules on PAH nanoparticles is desirable for a molecular-level understanding of the chemistry of soot and aerosol particles in the Earth's atmosphere as well as PAH ice grains in the interstellar space, where they interact with different molecules.

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Uptake of Hydrogen Bonding Molecules by Benzene Nanoparticles

Cited by 8 publications

References 68 publications

Elucidating the Infrared Spectral Properties of Succinic Molecular Acid Crystals: Illustration of the Structure and the Hydrogen Bond Energies of the Crystal and Its Deuterated Analogs

Elucidating the Infrared Spectral Properties of Succinic Molecular Acid Crystals: Illustration of the Structure and the Hydrogen Bond Energies of the Crystal and Its Deuterated Analogs

Stabilization of benzene radical anion in ammonia clusters

Uptake of Molecules by Polyaromatic Hydrocarbon Nanoparticles

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