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Multifaceted Deactivation Dynamics of Fe(II) N-Heterocyclic Carbene Photosensitizers

Lindh, Linnea LU orcid ; Pascher, Torbjörn LU ; Persson, Samuel LU ; Goriya, Yogesh LU ; Wärnmark, Kenneth LU ; Uhlig, Jens LU ; Chábera, Pavel LU ; Persson, Petter LU and Yartsev, Arkady LU orcid (2023) In Journal of Physical Chemistry A 127(48). p.10210-10222
Abstract

Excited state dynamics of three iron(II) carbene complexes that serve as prototype Earth-abundant photosensitizers were investigated by ultrafast optical spectroscopy. Significant differences in the dynamics between the investigated complexes down to femtosecond time scales are used to characterize fundamental differences in the depopulation of triplet metal-to-ligand charge-transfer (3MLCT) excited states in the presence of energetically accessible triplet metal-centered (3MC) states. Novel insights into the full deactivation cascades of the investigated complexes include evidence of the need to revise the deactivation model for a prominent iron carbene prototype complex, a refined understanding of complex... (More)

Excited state dynamics of three iron(II) carbene complexes that serve as prototype Earth-abundant photosensitizers were investigated by ultrafast optical spectroscopy. Significant differences in the dynamics between the investigated complexes down to femtosecond time scales are used to characterize fundamental differences in the depopulation of triplet metal-to-ligand charge-transfer (3MLCT) excited states in the presence of energetically accessible triplet metal-centered (3MC) states. Novel insights into the full deactivation cascades of the investigated complexes include evidence of the need to revise the deactivation model for a prominent iron carbene prototype complex, a refined understanding of complex 3MC dynamics, and a quantitative discrimination between activated and barrierless deactivation steps along the 3MLCT → 3MC → 1GS path. Overall, the study provides an improved understanding of photophysical limitations and opportunities for the use of iron(II)-based photosensitizers in photochemical applications.

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author
; ; ; ; ; ; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Physical Chemistry A
volume
127
issue
48
pages
13 pages
publisher
The American Chemical Society (ACS)
external identifiers
  • pmid:38000043
  • scopus:85179139813
ISSN
1089-5639
DOI
10.1021/acs.jpca.3c06983
language
English
LU publication?
yes
id
60b81990-3cee-47ae-9450-c64bd38b2b66
date added to LUP
2024-01-03 12:31:46
date last changed
2024-04-18 10:48:37
@article{60b81990-3cee-47ae-9450-c64bd38b2b66,
  abstract     = {{<p>Excited state dynamics of three iron(II) carbene complexes that serve as prototype Earth-abundant photosensitizers were investigated by ultrafast optical spectroscopy. Significant differences in the dynamics between the investigated complexes down to femtosecond time scales are used to characterize fundamental differences in the depopulation of triplet metal-to-ligand charge-transfer (<sup>3</sup>MLCT) excited states in the presence of energetically accessible triplet metal-centered (<sup>3</sup>MC) states. Novel insights into the full deactivation cascades of the investigated complexes include evidence of the need to revise the deactivation model for a prominent iron carbene prototype complex, a refined understanding of complex <sup>3</sup>MC dynamics, and a quantitative discrimination between activated and barrierless deactivation steps along the <sup>3</sup>MLCT → <sup>3</sup>MC → <sup>1</sup>GS path. Overall, the study provides an improved understanding of photophysical limitations and opportunities for the use of iron(II)-based photosensitizers in photochemical applications.</p>}},
  author       = {{Lindh, Linnea and Pascher, Torbjörn and Persson, Samuel and Goriya, Yogesh and Wärnmark, Kenneth and Uhlig, Jens and Chábera, Pavel and Persson, Petter and Yartsev, Arkady}},
  issn         = {{1089-5639}},
  language     = {{eng}},
  number       = {{48}},
  pages        = {{10210--10222}},
  publisher    = {{The American Chemical Society (ACS)}},
  series       = {{Journal of Physical Chemistry A}},
  title        = {{Multifaceted Deactivation Dynamics of Fe(II) N-Heterocyclic Carbene Photosensitizers}},
  url          = {{http://dx.doi.org/10.1021/acs.jpca.3c06983}},
  doi          = {{10.1021/acs.jpca.3c06983}},
  volume       = {{127}},
  year         = {{2023}},
}