Electronic excitation in manganese(II) chlorides MnCln2−n for n = 1..3

Nan N. Jakobsen; Kurt V. Mikkelsen; Matthew S. Johnson

doi:10.1016/j.cplett.2024.141831

Electronic excitation in manganese(II) chlorides MnCl_n²⁻ⁿ for n = 1..3

Nan N. Jakobsen, Kurt V. Mikkelsen, Matthew S. Johnson^*

^*Corresponding author af dette arbejde

Kemisk Institut

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review

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Abstract

This study explores the potential of manganese(II) chlorides, MnCl_n²⁻ⁿ (n = 1.3), to release chlorine radicals upon light absorption at tropospheric wavelengths. UV–Vis spectroscopy and TD-DFT calculations (CAM-B3LYP/6-311++G(d,p)) were employed to analyze MnCl_n²⁻ⁿ. Both experimental and calculated UV–Vis spectra show no absorption for λ> 250 nm. Photolysis experiments further confirmed the lack of chlorine radical production, suggesting that manganese(II) chlorides do not contribute to chlorine radical formation under tropospheric conditions.

Originalsprog	Engelsk
Artikelnummer	141831
Tidsskrift	Chemical Physics Letters
Vol/bind	862
Antal sider	7
ISSN	0009-2614
DOI	https://doi.org/10.1016/j.cplett.2024.141831
Status	Udgivet - 2025

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Publisher Copyright:
© 2024

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Citationsformater

@article{f2c54b0d5f56416caf7d241e800eaeba,

title = "Electronic excitation in manganese(II) chlorides MnCln2−n for n = 1..3",

abstract = "This study explores the potential of manganese(II) chlorides, MnCln2−n (n = 1.3), to release chlorine radicals upon light absorption at tropospheric wavelengths. UV–Vis spectroscopy and TD-DFT calculations (CAM-B3LYP/6-311++G(d,p)) were employed to analyze MnCln2−n. Both experimental and calculated UV–Vis spectra show no absorption for λ> 250 nm. Photolysis experiments further confirmed the lack of chlorine radical production, suggesting that manganese(II) chlorides do not contribute to chlorine radical formation under tropospheric conditions.",

keywords = "Manganese(II) chlorides, TD-DFT calculations, Tropospheric chlorine, UV–vis spectroscopy",

author = "Jakobsen, {Nan N.} and Mikkelsen, {Kurt V.} and Johnson, {Matthew S.}",

note = "Publisher Copyright: {\textcopyright} 2024",

year = "2025",

doi = "10.1016/j.cplett.2024.141831",

language = "English",

volume = "862",

journal = "Chemical Physics Letters",

issn = "0009-2614",

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TY - JOUR

T1 - Electronic excitation in manganese(II) chlorides MnCln2−n for n = 1..3

AU - Jakobsen, Nan N.

AU - Mikkelsen, Kurt V.

AU - Johnson, Matthew S.

PY - 2025

Y1 - 2025

N2 - This study explores the potential of manganese(II) chlorides, MnCln2−n (n = 1.3), to release chlorine radicals upon light absorption at tropospheric wavelengths. UV–Vis spectroscopy and TD-DFT calculations (CAM-B3LYP/6-311++G(d,p)) were employed to analyze MnCln2−n. Both experimental and calculated UV–Vis spectra show no absorption for λ> 250 nm. Photolysis experiments further confirmed the lack of chlorine radical production, suggesting that manganese(II) chlorides do not contribute to chlorine radical formation under tropospheric conditions.

AB - This study explores the potential of manganese(II) chlorides, MnCln2−n (n = 1.3), to release chlorine radicals upon light absorption at tropospheric wavelengths. UV–Vis spectroscopy and TD-DFT calculations (CAM-B3LYP/6-311++G(d,p)) were employed to analyze MnCln2−n. Both experimental and calculated UV–Vis spectra show no absorption for λ> 250 nm. Photolysis experiments further confirmed the lack of chlorine radical production, suggesting that manganese(II) chlorides do not contribute to chlorine radical formation under tropospheric conditions.

KW - Manganese(II) chlorides

KW - TD-DFT calculations

KW - Tropospheric chlorine

KW - UV–vis spectroscopy

U2 - 10.1016/j.cplett.2024.141831

DO - 10.1016/j.cplett.2024.141831

M3 - Journal article

AN - SCOPUS:85214316737

SN - 0009-2614

VL - 862

JO - Chemical Physics Letters

JF - Chemical Physics Letters

M1 - 141831

ER -