Spectroscopic characterization of phenol in frozen aqueous
solution and on the ice surface

J 2025

Spectroscopic characterization of phenol in frozen aqueous solution and on the ice surface

GARNCARZOVÁ, Marie; Lukáš VESELÝ; Bomi KIM; Kitae KIM; Dominik HEGER et. al.

Basic information

Original name

Spectroscopic characterization of phenol in frozen aqueous solution and on the ice surface

Authors

GARNCARZOVÁ, Marie (203 Czech Republic, belonging to the institution); Lukáš VESELÝ (203 Czech Republic, belonging to the institution); Bomi KIM; Kitae KIM and Dominik HEGER (203 Czech Republic, guarantor, belonging to the institution)

Edition

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, OXFORD, Elsevier, 2025, 1386-1425

Other information

Language

English

Type of outcome

Article in a journal

Field of Study

10403 Physical chemistry

Country of publisher

United Kingdom of Great Britain and Northern Ireland

Confidentiality degree

is not subject to a state or trade secret

References:

URL

Impact factor

Impact factor: 4.600 in 2024

Organization unit

Faculty of Science

DOI

https://doi.org/10.1016/j.saa.2025.125948

UT WoS

001444878400001

EID Scopus

2-s2.0-86000360672

Keywords in English

Freeze concentrated solution; Organic pollutants; Crystallization; Bathochromic shift; Photodegradation; Absorption spectra; Photophysics

Abstract

In the original language

Phenol is one of the omnipresent pollutants in the environment, frequently detected in ambient air, water, soil, snow, and ice. Due to its low aqueous reactivity and inability to undergo direct photolysis under typical tropospheric conditions, phenol can be widely distributed and accumulated in the environment for an extended period of time. However, the reactivity of phenol can be influenced by a number of factors, including temperature, pH, and phase transitions. The present study examines the impact of the ice matrix and ice surface on the photophysical properties of phenol via UV-VIS, fluorescence, and Raman spectroscopies. We demonstrate that the freezing of an aqueous solution results in the vitrification or crystallization of the freeze-concentrated solution. The latter case is accompanied by a bathochromic shift of the absorption spectrum above 290 nm. The most pronounced red-shifts were obtained for deprotonated and crystalline samples, which suggests that direct photolysis under tropospheric conditions would be significantly enhanced in these cases. The study further demonstrates the difference in the molecular arrangement in freeze-concentrated solutions as compared to the surface of Ih ice.

Cite

GARNCARZOVÁ, Marie; Lukáš VESELÝ; Bomi KIM; Kitae KIM and Dominik HEGER. Spectroscopic characterization of phenol in frozen aqueous solution and on the ice surface. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. OXFORD: Elsevier, 2025, vol. 335, JUL, p. 125948-125958. ISSN 1386-1425. Available from: https://doi.org/10.1016/j.saa.2025.125948.

@article{2491037,
   author = {Garncarzová, Marie and Veselý, Lukáš and Kim, Bomi and Kim, Kitae and Heger, Dominik},
   article_location = {OXFORD},
   article_number = {JUL},
   doi = {https://doi.org/10.1016/j.saa.2025.125948},
   keywords = {Freeze concentrated solution; Organic pollutants; Crystallization; Bathochromic shift; Photodegradation; Absorption spectra; Photophysics},
   language = {eng},
   issn = {1386-1425},
   journal = {Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy},
   title = {Spectroscopic characterization of phenol in frozen aqueous solution and on the ice surface},
   url = {https://www.sciencedirect.com/science/article/pii/S1386142525002549?via%3Dihub},
   volume = {335},
   year = {2025}
}

TY  - JOUR
ID  - 2491037
AU  - Garncarzová, Marie - Veselý, Lukáš - Kim, Bomi - Kim, Kitae - Heger, Dominik
PY  - 2025
TI  - Spectroscopic characterization of phenol in frozen aqueous solution and on the ice surface
JF  - Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
VL  - 335
IS  - JUL
SP  - 125948
EP  - 125948
PB  - Elsevier
SN  - 13861425
KW  - Freeze concentrated solution
KW  - Organic pollutants
KW  - Crystallization
KW  - Bathochromic shift
KW  - Photodegradation
KW  - Absorption spectra
KW  - Photophysics
UR  - https://www.sciencedirect.com/science/article/pii/S1386142525002549?via%3Dihub
N2  - Phenol is one of the omnipresent pollutants in the environment, frequently detected in ambient air, water, soil, snow, and ice. Due to its low aqueous reactivity and inability to undergo direct photolysis under typical tropospheric conditions, phenol can be widely distributed and accumulated in the environment for an extended period of time. However, the reactivity of phenol can be influenced by a number of factors, including temperature, pH, and phase transitions. The present study examines the impact of the ice matrix and ice surface on the photophysical properties of phenol via UV-VIS, fluorescence, and Raman spectroscopies. We demonstrate that the freezing of an aqueous solution results in the vitrification or crystallization of the freeze-concentrated solution. The latter case is accompanied by a bathochromic shift of the absorption spectrum above 290 nm. The most pronounced red-shifts were obtained for deprotonated and crystalline samples, which suggests that direct photolysis under tropospheric conditions would be significantly enhanced in these cases. The study further demonstrates the difference in the molecular arrangement in freeze-concentrated solutions as compared to the surface of Ih ice.
ER  -

GARNCARZOVÁ, Marie; Lukáš VESELÝ; Bomi KIM; Kitae KIM and Dominik HEGER. Spectroscopic characterization of phenol in frozen aqueous solution and on the ice surface. \textit{Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy}. OXFORD: Elsevier, 2025, vol.~335, JUL, p.~125948-125958. ISSN~1386-1425. Available from: https://doi.org/10.1016/j.saa.2025.125948.

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