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Journal of Molecular Liquids, volume 297, pages 111891

Equimolecular cocrystal of cis- and trans-coordinated N,N′-dimethylglycolurils: Some standard thermodynamic properties in the aqueous solution between 278.15 K and 318.15 K

Ivanov Evgeniy ¹

Baranov Vladimir V.

Kravchenko Angelina N. ²

Lebedeva Elena Yu ¹

Batov Dmitriy V ^{3, 4}

Baranov Vladimir V ²

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Laboratory of Thermodynamics of Solutions of Nonelectrolytes and Biologically Active Substances, Krestov Institute of Solution Chemistry, Russian Academy of Sciences, 1 Akademicheskaya Str., 153045 Ivanovo, Russian Federation |

Laboratory of Nitrogen-containing Compounds, Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 47 Leninsky Ave., 199119 Moscow, Russian Federation |

Department of Inorganic Chemistry, Ivanovo's State University of Chemistry and Technology, 7 Sheremetevsky Ave, 153000 Ivanovo, Russian Federation |

⁴

Incorporated Physicochemical Center of Solution Researches, Krestov Institute of Solution Chemistry, Russian Academy of Sciences, 1 Akademicheskaya Str., 153045 Ivanovo, Russian Federation |

Publication type: Journal Article

Publication date: 2020-01-01

Elsevier

Journal: Journal of Molecular Liquids

Quartile SCImago

Quartile WOS

Impact factor: 6

ISSN: 01677322, 18733166

DOI: 10.1016/j.molliq.2019.111891

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Materials Chemistry

Electronic, Optical and Magnetic Materials

Physical and Theoretical Chemistry

Spectroscopy

Atomic and Molecular Physics, and Optics

Condensed Matter Physics

Abstract

Abstract In this paper, we have discussed the results of densimetric and calorimetric studies of dissolution process in water for the (1:1) cocrystal consisting of two heterocyclic isomers being cis- and trans-coordinated dimethylglycolurils (2,8-DMGU and 2,6-DMGU, respectively) in the temperature range from (278.15 to 318.15) K at the ambient pressure. The standard (apparent or partial at infinite dilution) molar volumes and isobaric expansibilities of cocrystal as a solute in water were derived from the experimental data on solution density. Using thermochemical measurements, the standard molar enthalpies and isobaric heat capacities of the dissolution of cocrystal in water were also determined at the temperatures of interest. Based on the previously obtained similar results for aqueous 2,6-DMGU and 2,8-DMGU, a comparative analysis of packing and interaction changes in the hydration complex induced by the cocrystallization process has been carried out. It was found that the formation of cocrystal leads to a peculiar “synergism” in both volume and heat capacity effect of N,N′-dimethylglycoluril hydration at all temperatures studied.

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Journal of Molecular Modeling	Journal of Molecular Modeling, 1, 50% Journal of Molecular Modeling 1 publication, 50%
Journal of Molecular Liquids	Journal of Molecular Liquids, 1, 50% Journal of Molecular Liquids 1 publication, 50%
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Springer Nature	Springer Nature, 1, 50% Springer Nature 1 publication, 50%
Elsevier	Elsevier, 1, 50% Elsevier 1 publication, 50%
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Ivanov E. et al. Equimolecular cocrystal of cis- and trans-coordinated N,N′-dimethylglycolurils: Some standard thermodynamic properties in the aqueous solution between 278.15 K and 318.15 K // Journal of Molecular Liquids. 2020. Vol. 297. p. 111891.

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Ivanov E., Lebedeva E. Yu., Batov D. V., Baranov V. V., Kravchenko A. N., Baranov V. V. Equimolecular cocrystal of cis- and trans-coordinated N,N′-dimethylglycolurils: Some standard thermodynamic properties in the aqueous solution between 278.15 K and 318.15 K // Journal of Molecular Liquids. 2020. Vol. 297. p. 111891.

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RIS Copy

TY - JOUR

DO - 10.1016/j.molliq.2019.111891

UR - https://doi.org/10.1016%2Fj.molliq.2019.111891

TI - Equimolecular cocrystal of cis- and trans-coordinated N,N′-dimethylglycolurils: Some standard thermodynamic properties in the aqueous solution between 278.15 K and 318.15 K

T2 - Journal of Molecular Liquids

AU - Ivanov, Evgeniy

AU - Lebedeva, Elena Yu

AU - Batov, Dmitriy V

AU - Baranov, Vladimir V.

AU - Kravchenko, Angelina N.

AU - Baranov, Vladimir V

PY - 2020

DA - 2020/01/01 00:00:00

PB - Elsevier

SP - 111891

VL - 297

SN - 0167-7322

SN - 1873-3166

ER -

BibTex

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@article{2020_Ivanov,

author = {Evgeniy Ivanov and Elena Yu Lebedeva and Dmitriy V Batov and Vladimir V. Baranov and Angelina N. Kravchenko and Vladimir V Baranov},

title = {Equimolecular cocrystal of cis- and trans-coordinated N,N′-dimethylglycolurils: Some standard thermodynamic properties in the aqueous solution between 278.15 K and 318.15 K},

journal = {Journal of Molecular Liquids},

year = {2020},

volume = {297},

publisher = {Elsevier},

month = {jan},

url = {https://doi.org/10.1016%2Fj.molliq.2019.111891},

pages = {111891},

doi = {10.1016/j.molliq.2019.111891}

}

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Publisher

Elsevier

Journal

Journal of Molecular Liquids

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Quartile WOS

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01677322 (Print)
18733166 (Electronic)

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