New Ferrocene-Based Metalloligand with Two Triazole Carboxamide Pendant Arms and Its Iron(II) Complex: Synthesis, Crystal Structure, Fe-57 Mossbauer Spectroscopy, Magnetic Properties and Theoretical Calculations
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F22%3A73615230" target="_blank" >RIV/61989592:15310/22:73615230 - isvavai.cz</a>
Alternative codes found
RIV/00216305:26620/22:PU147322
Result on the web
<a href="https://www.mdpi.com/2304-6740/10/11/199" target="_blank" >https://www.mdpi.com/2304-6740/10/11/199</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.3390/inorganics10110199" target="_blank" >10.3390/inorganics10110199</a>
Alternative languages
Result language
angličtina
Original language name
New Ferrocene-Based Metalloligand with Two Triazole Carboxamide Pendant Arms and Its Iron(II) Complex: Synthesis, Crystal Structure, Fe-57 Mossbauer Spectroscopy, Magnetic Properties and Theoretical Calculations
Original language description
The new ferrocene-based metalloligand bis (N-4-[3,5-di-(2-pyridyl)-1,2,4-triazoyl])ferrocene carboxamide (L) was prepared through derivatization of 1,1 '-ferrocenedicarboxylic acid with 4-amino-3,5-di(pyridyl)-4H-1,2,4-triazole. The composition and purity of L in the solid state was determined with elemental analysis, FT-IR spectroscopy, and its crystal structure with single-crystal X-ray analysis, which revealed that the substituted cyclopentadienyl rings adopt the antiperiplanar conformation and the crystal structure of L is stabilized by O-H center dot center dot center dot N and N-H center dot center dot center dot O hydrogen bonds. The molecular properties of L in solution were investigated with NMR and UV-VIS spectroscopies, and cyclic voltammetry disclosed irreversible redox behavior providing one oxidation peak at E-1/2 = 1.133 V vs. SHE. Furthermore, the polymeric Fe-II complex {Fe(L)(C(CN)(3))(2)}(n) (1) was prepared and characterized with elemental analysis, FT-IR spectroscopy, Fe-57 Mossbauer spectroscopy, and magnetic measurements. The last two methods confirmed that a mixture of low- and high-spin species is present in 1; however, the spin crossover properties were absent. The presented study was also supported by theoretical calculations at the DFT/TD-DFT level of theory using TPSS and TPSSh functionals.
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
10402 - Inorganic and nuclear chemistry
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2022
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Inorganics
ISSN
2304-6740
e-ISSN
2304-6740
Volume of the periodical
10
Issue of the periodical within the volume
11
Country of publishing house
CH - SWITZERLAND
Number of pages
16
Pages from-to
"199-1"-"1-199-16"
UT code for WoS article
000884536400001
EID of the result in the Scopus database
2-s2.0-85141748683