Resonance Raman excitation profiles of Fe(II)-terpyridine complexes: electronic effects of ligand modifications
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389013%3A_____%2F21%3A00551664" target="_blank" >RIV/61389013:_____/21:00551664 - isvavai.cz</a>
Alternative codes found
RIV/00216208:11310/21:10437349
Result on the web
<a href="https://pubs.acs.org/doi/10.1021/acs.jpcb.1c08366#" target="_blank" >https://pubs.acs.org/doi/10.1021/acs.jpcb.1c08366#</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.jpcb.1c08366" target="_blank" >10.1021/acs.jpcb.1c08366</a>
Alternative languages
Result language
angličtina
Original language name
Resonance Raman excitation profiles of Fe(II)-terpyridine complexes: electronic effects of ligand modifications
Original language description
Metal 2,2′:6′,2″-terpyridine (tpy) complexes are readily used as building blocks in metallo-supramolecular polymers that stand out for their photophysical properties in solar energy assemblies. Furthermore, Resonance Raman (RR) excitation profiles are sensitive indicators of the electronic properties of chromophores. Previously, using RR spectroscopy, we studied the [Fe(tpy)2]2+ complex and metallo-supramolecular polymers formed by tpy derivatives and Fe(II) ions. Here, we compare RR spectra of iron (Fe(II)) complexes with 4′-substituted tpy ligands─[Fe(4′-R-tpy)2]2+, with R = H (1a), Cl (2a), 4-chlorophenyl (3a), and 2-thienyl (4a) to describe changes in their electronic structure after functionalization. By combining theoretical calculations, RR, and UV/vis spectra, we elucidated differences in the RR excitation profiles of 1a, 2a, and 4a complexes. In all Raman modes, complexes 1a and 2a showed maximal enhancement only at 532 nm excitation, whereas complex 4a exhibited maximal enhancement selectively at either 532 or 633 nm excitations. Based on our calculations, the mixed metal/ligand character of the highest occupied molecular orbital (HOMO) of 4a complex manifests itself through selective enhancement of vibration modes, mainly localized on the 2-thienyl unit at 633 nm excitation, which may explain the unique behavior of this complex. Therefore, complex 4a is a prospective candidate for further detailed photophysical explorations toward developing sensitizers for solar cells.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10404 - Polymer science
Result continuities
Project
<a href="/en/project/GA20-08679S" target="_blank" >GA20-08679S: Study of the initial self-assembly processes during the formation of biomimetic anchor layers</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2021
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Physical Chemistry B
ISSN
1520-6106
e-ISSN
1520-5207
Volume of the periodical
125
Issue of the periodical within the volume
46
Country of publishing house
US - UNITED STATES
Number of pages
12
Pages from-to
12847-12858
UT code for WoS article
000750898200017
EID of the result in the Scopus database
2-s2.0-85119401196