Spectroscopic study on enantiomeric Ni(II) complexes of porphyrin-porphyrin Tröger's base and porphyrin-chlorin spiro-Tröger's base derivatives supported by DFT calculations
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F24%3A43928853" target="_blank" >RIV/60461373:22340/24:43928853 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1016/j.saa.2024.124308" target="_blank" >https://doi.org/10.1016/j.saa.2024.124308</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.saa.2024.124308" target="_blank" >10.1016/j.saa.2024.124308</a>
Alternative languages
Result language
angličtina
Original language name
Spectroscopic study on enantiomeric Ni(II) complexes of porphyrin-porphyrin Tröger's base and porphyrin-chlorin spiro-Tröger's base derivatives supported by DFT calculations
Original language description
The chiral properties of nickel(II) complexes of porphyrin-porphyrin Tröger's base and porphyrin-chlorin spiro-Tröger's base with phenyl or 3-methoxyphenyl substitutions in their meso-positions were studied. Enantioseparation of racemic mixtures was investigated via high-performance liquid chromatography (HPLC) on an analytical ReproSil Chiral-NR column. The optimal conditions were utilized for a multimilligram scale isolation with a semipreparative column. The purity of the isolated enantiomers was determined by HPLC and UV–Vis spectroscopy. The absolute configurations of the isolated enantiomers were determined by evaluating the Cotton effect in electronic circular dichroism spectra. The determination was supported by TDDFT calculations, in which good agreement was achieved between the experimental and simulated spectra. The maximum molar ellipticity values, [θ]λmax given in deg ∙ cm2 ∙ dmol−1, were [θ]435 = 1.73 ∙ 107 for phenyl spiroTB and [θ]436 = 1.24 ∙ 107 and [θ]436 = 2.15 ∙ 107 for 3-methoxyphenyl TB and spiroTB, respectively.
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
10401 - Organic chemistry
Result continuities
Project
<a href="/en/project/LTAUSA19065" target="_blank" >LTAUSA19065: Exploration of properties and preparation of metalloporfyrin derivatives of Tröger’s, spiro-Tröger’s, and oligo-Tröger’s bases</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach
Others
Publication year
2024
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
ISSN
1386-1425
e-ISSN
1873-3557
Volume of the periodical
316
Issue of the periodical within the volume
5 August 2024
Country of publishing house
GB - UNITED KINGDOM
Number of pages
7
Pages from-to
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UT code for WoS article
001217017600001
EID of the result in the Scopus database
2-s2.0-85190942811