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Manifestation of Davydov Splitting in the Contours of the Fundamental Bands ν3 and ν2 in the Reflection and Absorption IR Spectra of Crystalline CO2. / Катаева, Татьяна Сергеевна; Голубкова, Ольга Сергеевна; Асфин, Руслан Евгеньевич; Песцов, Олег Сергеевич; Щепкин, Дмитрий Николаевич.

In: Russian Journal of Physical Chemistry A, Vol. 99, No. 4, 01.04.2025, p. 764-772.

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

Harvard

Катаева, ТС, Голубкова, ОС, Асфин, РЕ, Песцов, ОС & Щепкин, ДН 2025, 'Manifestation of Davydov Splitting in the Contours of the Fundamental Bands ν3 and ν2 in the Reflection and Absorption IR Spectra of Crystalline CO2', Russian Journal of Physical Chemistry A, vol. 99, no. 4, pp. 764-772. https://doi.org/10.1134/S0036024425700372

APA

Катаева, Т. С., Голубкова, О. С., Асфин, Р. Е., Песцов, О. С., & Щепкин, Д. Н. (2025). Manifestation of Davydov Splitting in the Contours of the Fundamental Bands ν3 and ν2 in the Reflection and Absorption IR Spectra of Crystalline CO2. Russian Journal of Physical Chemistry A, 99(4), 764-772. https://doi.org/10.1134/S0036024425700372

Vancouver

Катаева ТС, Голубкова ОС, Асфин РЕ, Песцов ОС, Щепкин ДН. Manifestation of Davydov Splitting in the Contours of the Fundamental Bands ν3 and ν2 in the Reflection and Absorption IR Spectra of Crystalline CO2. Russian Journal of Physical Chemistry A. 2025 Apr 1;99(4):764-772. https://doi.org/10.1134/S0036024425700372

Author

Катаева, Татьяна Сергеевна ; Голубкова, Ольга Сергеевна ; Асфин, Руслан Евгеньевич ; Песцов, Олег Сергеевич ; Щепкин, Дмитрий Николаевич. / Manifestation of Davydov Splitting in the Contours of the Fundamental Bands ν3 and ν2 in the Reflection and Absorption IR Spectra of Crystalline CO2. In: Russian Journal of Physical Chemistry A. 2025 ; Vol. 99, No. 4. pp. 764-772.

BibTeX

@article{ae1c4841623c453b9c49ba13c8e5c681,
title = "Manifestation of Davydov Splitting in the Contours of the Fundamental Bands ν3 and ν2 in the Reflection and Absorption IR Spectra of Crystalline CO2",
abstract = "Reflection-absorption IR (RAIR) spectra of carbon dioxide (CO2) thin crystalline films at 7 K in the region of fundamental ν3 and ν2 modes were studied. The Davydov splitting (DS) (or factor group splitting) on the fundamental bands were studied. The calculation of the DS was provided in the framework of resonant dipole-dipole (RDD) interaction. The shifts of the TO-branch due to DS were calculated for the ν3 and ν2 bands. In case of the ν3 band, the results obtained are in qualitative and quantitative agreement within 0.1 cm–1. For the ν2 band, the calculated splitting value is 15% greater than the experimental value.",
keywords = "CO2 crystalline thin films, Davydov splitting, absorption spectra, dipole-dipole interaction, low-temperature crystal, reflection spectra",
author = "Катаева, {Татьяна Сергеевна} and Голубкова, {Ольга Сергеевна} and Асфин, {Руслан Евгеньевич} and Песцов, {Олег Сергеевич} and Щепкин, {Дмитрий Николаевич}",
year = "2025",
month = apr,
day = "1",
doi = "10.1134/S0036024425700372",
language = "English",
volume = "99",
pages = "764--772",
journal = "Russian Journal of Physical Chemistry A",
issn = "0036-0244",
publisher = "МАИК {"}Наука/Интерпериодика{"}",
number = "4",

}

RIS

TY - JOUR

T1 - Manifestation of Davydov Splitting in the Contours of the Fundamental Bands ν3 and ν2 in the Reflection and Absorption IR Spectra of Crystalline CO2

AU - Катаева, Татьяна Сергеевна

AU - Голубкова, Ольга Сергеевна

AU - Асфин, Руслан Евгеньевич

AU - Песцов, Олег Сергеевич

AU - Щепкин, Дмитрий Николаевич

PY - 2025/4/1

Y1 - 2025/4/1

N2 - Reflection-absorption IR (RAIR) spectra of carbon dioxide (CO2) thin crystalline films at 7 K in the region of fundamental ν3 and ν2 modes were studied. The Davydov splitting (DS) (or factor group splitting) on the fundamental bands were studied. The calculation of the DS was provided in the framework of resonant dipole-dipole (RDD) interaction. The shifts of the TO-branch due to DS were calculated for the ν3 and ν2 bands. In case of the ν3 band, the results obtained are in qualitative and quantitative agreement within 0.1 cm–1. For the ν2 band, the calculated splitting value is 15% greater than the experimental value.

AB - Reflection-absorption IR (RAIR) spectra of carbon dioxide (CO2) thin crystalline films at 7 K in the region of fundamental ν3 and ν2 modes were studied. The Davydov splitting (DS) (or factor group splitting) on the fundamental bands were studied. The calculation of the DS was provided in the framework of resonant dipole-dipole (RDD) interaction. The shifts of the TO-branch due to DS were calculated for the ν3 and ν2 bands. In case of the ν3 band, the results obtained are in qualitative and quantitative agreement within 0.1 cm–1. For the ν2 band, the calculated splitting value is 15% greater than the experimental value.

KW - CO2 crystalline thin films

KW - Davydov splitting

KW - absorption spectra

KW - dipole-dipole interaction

KW - low-temperature crystal

KW - reflection spectra

UR - https://www.mendeley.com/catalogue/12426112-c6ce-3d57-aea5-247f2c39d727/

U2 - 10.1134/S0036024425700372

DO - 10.1134/S0036024425700372

M3 - Article

VL - 99

SP - 764

EP - 772

JO - Russian Journal of Physical Chemistry A

JF - Russian Journal of Physical Chemistry A

SN - 0036-0244

IS - 4

ER -

ID: 135430542