Standard

Dye spectra of benzene derivatives in the liquid-crystalline phase of 4-n-pentyl-4΄-cyanobiphenyl. / Андреева, Татьяна Анатольевна; Бедрина, Марина Евгеньевна; Егоров, Николай Васильевич.

In: European Physical Journal E, Vol. 46, No. 6, 45, 01.06.2023.

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

Harvard

Андреева, ТА, Бедрина, МЕ & Егоров, НВ 2023, 'Dye spectra of benzene derivatives in the liquid-crystalline phase of 4-n-pentyl-4΄-cyanobiphenyl', European Physical Journal E, vol. 46, no. 6, 45. https://doi.org/10.1140/epje/s10189-023-00305-7

APA

Андреева, Т. А., Бедрина, М. Е., & Егоров, Н. В. (2023). Dye spectra of benzene derivatives in the liquid-crystalline phase of 4-n-pentyl-4΄-cyanobiphenyl. European Physical Journal E, 46(6), [45]. https://doi.org/10.1140/epje/s10189-023-00305-7

Vancouver

Андреева ТА, Бедрина МЕ, Егоров НВ. Dye spectra of benzene derivatives in the liquid-crystalline phase of 4-n-pentyl-4΄-cyanobiphenyl. European Physical Journal E. 2023 Jun 1;46(6). 45. https://doi.org/10.1140/epje/s10189-023-00305-7

Author

Андреева, Татьяна Анатольевна ; Бедрина, Марина Евгеньевна ; Егоров, Николай Васильевич. / Dye spectra of benzene derivatives in the liquid-crystalline phase of 4-n-pentyl-4΄-cyanobiphenyl. In: European Physical Journal E. 2023 ; Vol. 46, No. 6.

BibTeX

@article{098a93bb0d3d4bf58784f471b0b89984,
title = "Dye spectra of benzene derivatives in the liquid-crystalline phase of 4-n-pentyl-4΄-cyanobiphenyl",
abstract = "In the present paper, we study the interaction of associates (dimers and trimers) of 4-n-pentyl-4΄-cyanobiphenyl (5CB) with 1, 2-Diamino-4-nitrobenzene and N, N-Dimethyl-4-nitrosoaniline dye molecules. The structures of the intermolecular complexes were studied using hybrid functionals of the DFT method M06 and B3LYP with the 6–31 + G (d) basis set. The intermolecular binding energy of dyes with associates depends on the structure of the complexes and is about 5 kcal/mol. Vibrational spectra were calculated for all intermolecular systems. The electronic absorption spectra of dyes are sensitive to the structure of the mesophase. The pattern of the spectrum changes depending on the structure of the complex of the dimer or trimer with the dye molecule. The long-wavelength transition bands are characterized by shifts that are bathochromic for 1, 2-Diamino-4-nitrobenzene and hypsochromic for N, N-Dimethyl-4-nitrosoaniline. Graphical Abstract: [Figure not available: see fulltext.]",
author = "Андреева, {Татьяна Анатольевна} and Бедрина, {Марина Евгеньевна} and Егоров, {Николай Васильевич}",
year = "2023",
month = jun,
day = "1",
doi = "10.1140/epje/s10189-023-00305-7",
language = "English",
volume = "46",
journal = "European Physical Journal E",
issn = "1292-8941",
publisher = "Springer Nature",
number = "6",

}

RIS

TY - JOUR

T1 - Dye spectra of benzene derivatives in the liquid-crystalline phase of 4-n-pentyl-4΄-cyanobiphenyl

AU - Андреева, Татьяна Анатольевна

AU - Бедрина, Марина Евгеньевна

AU - Егоров, Николай Васильевич

PY - 2023/6/1

Y1 - 2023/6/1

N2 - In the present paper, we study the interaction of associates (dimers and trimers) of 4-n-pentyl-4΄-cyanobiphenyl (5CB) with 1, 2-Diamino-4-nitrobenzene and N, N-Dimethyl-4-nitrosoaniline dye molecules. The structures of the intermolecular complexes were studied using hybrid functionals of the DFT method M06 and B3LYP with the 6–31 + G (d) basis set. The intermolecular binding energy of dyes with associates depends on the structure of the complexes and is about 5 kcal/mol. Vibrational spectra were calculated for all intermolecular systems. The electronic absorption spectra of dyes are sensitive to the structure of the mesophase. The pattern of the spectrum changes depending on the structure of the complex of the dimer or trimer with the dye molecule. The long-wavelength transition bands are characterized by shifts that are bathochromic for 1, 2-Diamino-4-nitrobenzene and hypsochromic for N, N-Dimethyl-4-nitrosoaniline. Graphical Abstract: [Figure not available: see fulltext.]

AB - In the present paper, we study the interaction of associates (dimers and trimers) of 4-n-pentyl-4΄-cyanobiphenyl (5CB) with 1, 2-Diamino-4-nitrobenzene and N, N-Dimethyl-4-nitrosoaniline dye molecules. The structures of the intermolecular complexes were studied using hybrid functionals of the DFT method M06 and B3LYP with the 6–31 + G (d) basis set. The intermolecular binding energy of dyes with associates depends on the structure of the complexes and is about 5 kcal/mol. Vibrational spectra were calculated for all intermolecular systems. The electronic absorption spectra of dyes are sensitive to the structure of the mesophase. The pattern of the spectrum changes depending on the structure of the complex of the dimer or trimer with the dye molecule. The long-wavelength transition bands are characterized by shifts that are bathochromic for 1, 2-Diamino-4-nitrobenzene and hypsochromic for N, N-Dimethyl-4-nitrosoaniline. Graphical Abstract: [Figure not available: see fulltext.]

UR - https://link.springer.com/article/10.1140/epje/s10189-023-00305-7#citeas

U2 - 10.1140/epje/s10189-023-00305-7

DO - 10.1140/epje/s10189-023-00305-7

M3 - Article

VL - 46

JO - European Physical Journal E

JF - European Physical Journal E

SN - 1292-8941

IS - 6

M1 - 45

ER -

ID: 106354887