Gas-phase water: Features of hydrogen bonding deduced from far-infrared VRT spectra proving the cluster formation in vacuum

Udal’tsov, Alexander V.

doi:10.1016/j.chemphys.2018.06.002

Cited by 3 publications

(5 citation statements)

References 19 publications

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“…Then Гms = Δνm/β gives Гms = 18.293 cm -1 (or 3.6338 × 10 -22 J), and the calculated τr = 0.29021 ps. The latter is consistent with the period of hydrogen bonding oscillations of 0.2900212 ps [21], which is in fair agreement with the fast Debye relaxation time τ2 =182 fs of water [23] taking into account that the local levels are governed by factor (Rgold) -1 as evidenced in Ref. [21].…”

Section: Scheme 1 Illustration Of Proton Motion Between the Hydrogensupporting

confidence: 89%

“…The latter is consistent with the period of hydrogen bonding oscillations of 0.2900212 ps [21], which is in fair agreement with the fast Debye relaxation time τ2 =182 fs of water [23] taking into account that the local levels are governed by factor (Rgold) -1 as evidenced in Ref. [21]. Thus, the calculated proton sharing frequency for liquid water (ƒw,q = τr -1 ) with quaternary molecule coordination is that ƒw,q = 3.4458 THz.…”

Section: Scheme 1 Illustration Of Proton Motion Between the Hydrogensupporting

confidence: 87%

“…accompanied by the change of the nucleus spin direction to the opposite resulting in the forward proton moving [20]. The difference (ћω − ћω') = 1.41153 cm -1 arisen because of spin-spin interaction between the coupled proton and electron establishing the hydrogen bond is estimated with the hydrogen's Lamb shift [21]; oxygen atoms and electrons are depicted by red and pink, respectively, blue lines show the bonds and hydrogen bonding. Inset shows similar transitions in the moiety of THF and H2CO3 of the three-component complex.…”

Section: Scheme 1 Illustration Of Proton Motion Between the Hydrogenmentioning

confidence: 99%

“…Then taking into account the wavenumber 2766 cm -1 characterizing proton sharing in the cluster between the protonated TPP dimers [7] and the energy -(2νHb = 2 × 44.345 cm -1 ) diminishing the absorbed frequency per two hydrogen bonds in the case of the three-component complex, we arrive to 2677.31 cm -1 that is in fair agreement with the experimental 2680 cm -1 . While taking into account the difference 2(ћω − ћω') that is accumulated by the electron coupled with the proton [21], the estimation yields 2680.13 cm -1 . The view on liquid crystal state is due to proton moving through water confined in a material in the absence of the diffusion of molecules is also supported by other experimental data, namely by a spectrum of porous silicon recorded in the transmittance mode [24].…”

Section: Scheme 1 Illustration Of Proton Motion Between the Hydrogenmentioning

confidence: 99%

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Intermolecular Interactions Required for the Formation of Liquid Microcrystals Produced by the Precursors Self-Organized from Protonated TPP Dimers

Udal’tsov

2018

The 1st International Electronic Conference on Crystals

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Features of solute-solvent intermolecular interaction establishing hydrogen bonds were studied in view of proton sharing in the O---H+–O moiety that is the prerequisite for proton moving through water. Liquid microcrystals are expected to be formed due to the protons moving through water confined in their precursors. Among the different oxygen-containing organic solvents well-dissolved in water, tetrahydrofuran (THF) has been found the most suitable since it forms a molecular complex with carbon dioxide dissolved in water producing the ions H+ and (HCO3)−. This three-component complex exhibits in infrared spectra vibrational bands characterizing the complex and the proton sharing in the O---H+–O moiety. Assemblies consisting of mono- protonated meso-tetraphenylporphine (TPP) dimers self-organized into submicroscopic particles in solution and water with 0.86 mol·L−1 THF have been investigated by infrared spectroscopy, SEM, and AFM in thin layers. Earlier found tight water covering the submicroscopic particles is proved to exhibit an ordered and non-ordered local areas on the surface. Molecular characteristics estimated for the three-component complex involving THF suggest that the complex together with the TPP dimers partakes in the crystallization process providing protons moving through water.

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Section: Scheme 1 Illustration Of Proton Motion Between the Hydrogensupporting

confidence: 89%

Section: Scheme 1 Illustration Of Proton Motion Between the Hydrogensupporting

confidence: 87%

Section: Scheme 1 Illustration Of Proton Motion Between the Hydrogenmentioning

confidence: 99%

Section: Scheme 1 Illustration Of Proton Motion Between the Hydrogenmentioning

confidence: 99%

See 2 more Smart Citations

Intermolecular Interactions Required for the Formation of Liquid Microcrystals Produced by the Precursors Self-Organized from Protonated TPP Dimers

Udal’tsov

2018

The 1st International Electronic Conference on Crystals

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“…Permiten el muestreo del suelo en cuadrícula ocupa los mismos principios de un muestreo del suelo para obtener un mapa detallado acerca de las necesidades de los nutrientes. El mapa es utilizado por los agricultores para controlar con precisión la cantidad de insumos a los cultivos o suelo (Fabiani et al, 2020;Udal'tsov, 2018). Universidad Nacional de La Plata | Marco Pusdá-Chulde | Doctorado en Ciencias Informáticas…”

Section: Tecnología De Tasa Variable (Vrt)unclassified

Algoritmos para agricultura de precisión utilizando computación de alto rendimiento

Chulde¹

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La agricultura de precisión (AP) automatiza actividades mediante la recopilación y análisis de datos agrícolas para la toma de decisiones con fines de mejorar la producción agrícola. En AP el procesamiento de imágenes digitales agrícolas implica realizar operaciones para obtener sus transformaciones en la sistematización de tareas agrícolas. El procesamiento de imágenes digitales requiere de varios recursos de cómputo, principalmente de tiempo y memoria; por ello, mediante la aplicación de paralelismo en procesadores heterogéneos con memoria compartida se pretende reducir el tiempo de ejecución con nuevos algoritmos. La obtención de imágenes sobre grandes extensiones de cultivos agrícolas es difícil para los agricultores de manera tradicional, aprovechando nuevos recursos tecnológicos como los vehículos aéreos no tripulados UAV- Unmanned Aerial Vehicle) más conocidos como drones es posible capturar fotografías digitales de alta calidad a diferentes alturas de sobrevuelo. Teniendo en cuenta las pérdidas económicas en la agricultura cada vez mayores debido a las malezas en los cultivos de maíz, se propone un algoritmo aplicando paralelismo mediante la metodología de Foster´s capaz de identificar líneas de cultivo y discriminar malezas. El algoritmo se ejecuta de manera paralela en una serie de pasos intermedios, que incluyen 4 particiones (segmentación, detección de líneas de cultivo, exclusión de cultivo, discriminación de malezas), en cada partición se aplica paralelismo de datos utilizando un procesador de 8 núcleos. Se utilizó Matlab como lenguaje de programación y herramientas orientadas al paralelismo local para análisis de imágenes adquiridas mediante un dron DJI Mavic 2 Pro con una resolución de 5472× 3648 a alturas de 5, 10 y 15 metros. Los resultados obtenidos demuestran que se puede identificar como mínimo líneas de cultivo (85%) y máximo de malezas (93.28%) del total de vegetación en la cuarta semana de seguimiento al cultivo a 15 metros de altura. Igualmente, con el algoritmo propuesto los tiempos de procesamiento evaluados en promedio alcanzan un rango entre 4.54 y 5.67 segundos con imágenes que alcanzan una extensión máxima de 160 metros cuadrados.

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Proton-sharing frequency and dynamic characteristics of water molecule in the liquid in terms of polaronic exciton concept

Udal’tsov

2019

Journal of Molecular Liquids

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Gas-phase water: Features of hydrogen bonding deduced from far-infrared VRT spectra proving the cluster formation in vacuum

Cited by 3 publications

References 19 publications

Intermolecular Interactions Required for the Formation of Liquid Microcrystals Produced by the Precursors Self-Organized from Protonated TPP Dimers

Intermolecular Interactions Required for the Formation of Liquid Microcrystals Produced by the Precursors Self-Organized from Protonated TPP Dimers

Algoritmos para agricultura de precisión utilizando computación de alto rendimiento

Proton-sharing frequency and dynamic characteristics of water molecule in the liquid in terms of polaronic exciton concept

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