Deep Eutectic Solvents or Eutectic Mixtures? Characterization of Tetrabutylammonium Bromide and Nonanoic Acid Mixtures

Standard

Deep Eutectic Solvents or Eutectic Mixtures? Characterization of Tetrabutylammonium Bromide and Nonanoic Acid Mixtures. / Shishov, Andrey; Makoś-Chełstowska, Patrycja; Bulatov, Andrey; Andruch, Vasil.

In: The journal of physical chemistry. B, Vol. 126, No. 21, 02.06.2022, p. 3889-3896.

Research output: Contribution to journal › Article › peer-review

BibTeX

@article{6661333573574169a372b8940c5dd82a,

title = "Deep Eutectic Solvents or Eutectic Mixtures? Characterization of Tetrabutylammonium Bromide and Nonanoic Acid Mixtures",

abstract = "Deep eutectic solvents have quickly attracted the attention of researchers because they better meet the requirements of green chemistry and thus have the potential to replace conventional hazardous organic solvents in some areas. To better understand the nature of these mixtures, as well as expand the possibilities of their use in different industries, a detailed examination of their physical properties, such as density, viscosity, the nature of the interactions between their constituents, the phase diagrams, depression of their melting point, and interpretation of these results is necessary. In this work, the mixtures of tetrabutylammonium bromide (TBAB) and nonanoic acid (NA) in different molar ratios are theoretically and experimentally investigated by applying a phase diagram constructed on the basis of differential scanning calorimetry measurements and COSMO-RS model. Spectral properties are investigated based on Fourier transform infrared spectroscopy and density functional theory. The observed eutectic point indicates the formation of a DES in the TBAB-NA system in a 1:2 molar ratio. This is due to the presence of hydrogen bonds between the carboxyl group from the NA molecule and the bromine atom from the TBAB molecule. Other eutectic mixtures are most likely the solutions of TBAB in NA, in which hydrogen bonds predominate between acid molecules.",

author = "Andrey Shishov and Patrycja Mako{\'s}-Che{\l}stowska and Andrey Bulatov and Vasil Andruch",

year = "2022",

month = jun,

day = "2",

doi = "10.1021/acs.jpcb.2c00858",

language = "English",

volume = "126",

pages = "3889--3896",

journal = "Journal of Physical Chemistry B",

issn = "1520-6106",

publisher = "American Chemical Society",

number = "21",

}

RIS

TY - JOUR

T1 - Deep Eutectic Solvents or Eutectic Mixtures? Characterization of Tetrabutylammonium Bromide and Nonanoic Acid Mixtures

AU - Shishov, Andrey

AU - Makoś-Chełstowska, Patrycja

AU - Bulatov, Andrey

AU - Andruch, Vasil

PY - 2022/6/2

Y1 - 2022/6/2

N2 - Deep eutectic solvents have quickly attracted the attention of researchers because they better meet the requirements of green chemistry and thus have the potential to replace conventional hazardous organic solvents in some areas. To better understand the nature of these mixtures, as well as expand the possibilities of their use in different industries, a detailed examination of their physical properties, such as density, viscosity, the nature of the interactions between their constituents, the phase diagrams, depression of their melting point, and interpretation of these results is necessary. In this work, the mixtures of tetrabutylammonium bromide (TBAB) and nonanoic acid (NA) in different molar ratios are theoretically and experimentally investigated by applying a phase diagram constructed on the basis of differential scanning calorimetry measurements and COSMO-RS model. Spectral properties are investigated based on Fourier transform infrared spectroscopy and density functional theory. The observed eutectic point indicates the formation of a DES in the TBAB-NA system in a 1:2 molar ratio. This is due to the presence of hydrogen bonds between the carboxyl group from the NA molecule and the bromine atom from the TBAB molecule. Other eutectic mixtures are most likely the solutions of TBAB in NA, in which hydrogen bonds predominate between acid molecules.

AB - Deep eutectic solvents have quickly attracted the attention of researchers because they better meet the requirements of green chemistry and thus have the potential to replace conventional hazardous organic solvents in some areas. To better understand the nature of these mixtures, as well as expand the possibilities of their use in different industries, a detailed examination of their physical properties, such as density, viscosity, the nature of the interactions between their constituents, the phase diagrams, depression of their melting point, and interpretation of these results is necessary. In this work, the mixtures of tetrabutylammonium bromide (TBAB) and nonanoic acid (NA) in different molar ratios are theoretically and experimentally investigated by applying a phase diagram constructed on the basis of differential scanning calorimetry measurements and COSMO-RS model. Spectral properties are investigated based on Fourier transform infrared spectroscopy and density functional theory. The observed eutectic point indicates the formation of a DES in the TBAB-NA system in a 1:2 molar ratio. This is due to the presence of hydrogen bonds between the carboxyl group from the NA molecule and the bromine atom from the TBAB molecule. Other eutectic mixtures are most likely the solutions of TBAB in NA, in which hydrogen bonds predominate between acid molecules.

UR - http://www.scopus.com/inward/record.url?scp=85131269324&partnerID=8YFLogxK

U2 - 10.1021/acs.jpcb.2c00858

DO - 10.1021/acs.jpcb.2c00858

M3 - Article

C2 - 35608166

AN - SCOPUS:85131269324

VL - 126

SP - 3889

EP - 3896

JO - Journal of Physical Chemistry B

JF - Journal of Physical Chemistry B

SN - 1520-6106

IS - 21

ER -

ID: 96820539