Peculiarities of molecular light scattering in a chlorobenzene—o-dichlorobenzene system and their relationship to the solution structure

Abramovich, A. I.; Lanshina, L. V.; Kargin, I. D.

doi:10.1007/s11172-017-1814-8

Cited by 5 publications

(2 citation statements)

References 9 publications

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“…At present, this concept was confirmed and developed in the works of I.A. Abramovich and the coauthors [10][11][12][13][14][15][16][17], devoted to the structure of the liquid system in benzene and its substituted species. The specific interaction with different spatial geometry can form in a liquid bulk of molecules without hydrogen bonds.…”

Section: Molecular Light Scattering (Mls) and X-ray Data Sourcementioning

confidence: 71%

The Formation Mechanism and Structure of Organic Liquids in the DFT Challenges

Гринвальд¹,

Kalagaev²,

Kapustin³

2022

Density Functional Theory - Recent Advances, New Perspectives and Applications

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In the paper the experimental and theoretical approaches to problem of organic liquids formation mechanism and its structure are reviewed. It was shown that all presented models have the advantages and disadvantages at interpretation of molecular interaction and arrangement in liquid phase. The DFT calculation in different variant of models including paired interaction hydrogen atom transfer, model of transformation and the general conclusion following from this consideration are presented.

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Section: Molecular Light Scattering (Mls) and X-ray Data Sourcementioning

confidence: 71%

The Formation Mechanism and Structure of Organic Liquids in the DFT Challenges

Гринвальд¹,

Kalagaev²,

Kapustin³

2022

Density Functional Theory - Recent Advances, New Perspectives and Applications

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“…Back in the 70s Shakhparonov, who predicted the existence of the specific interactions in the non-polar hydrogen-bonded liquids, suggested the formation of molecular π-complexes (molecular stacks) between aromatic rings. 11 Later, this concept was confirmed and developed by Abramovich's group [12][13][14] . The single benzene molecule geometry is usually taken as a planar ring.…”

Section: A N U S C R I P Tmentioning

confidence: 92%

Formation of intermediate gas-liquid system in aromatics’ thin layers

Kapustin¹,

Гринвальд²,

Vorotyntsev

et al. 2023

JSCS

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The present work discusses the IR spectroscopic experiments and quantum-chemical DFT study of structure and intermolecular binding in the intermediate gas-liquid systems of aromatics, namely, benzene, furane, pyridine and thiophene. These systems can be generated in thin layers near a solid surface by two different methods, depending on the physical properties of the sample. The first method includes evaporation with a subsequent compression of a sample in a variable thickness optical cell is applied to volatile components: benzene, furane, thiophene. For benzene and pyridine, the second method is used, which involves a heating-initiated evaporation into a closed inter-window space with an after-cooling of a sample. It was shown that the formed layer is not an adsorbate or a condensate. The IR data obtained by these two methods allow to conclude that the revealed systems of the considered aromatics manifest dual gas-liquid spectral properties which can pass into each other in case of varying external conditions. According to the DFT calculation results, the spatial arrangement in the aromatic thin layers can be described as a combination of ?- and ?- bonded clusters, which simulate the gas and the liquid phase state properties.

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