Spin state of two mononuclear iron(II) complexes of a tridentate bis(imino) pyridine N-donor ligand: Experimental and theoretical investigations
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F22%3A10448843" target="_blank" >RIV/00216208:11310/22:10448843 - isvavai.cz</a>
Result on the web
<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=dh-d64d65i" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=dh-d64d65i</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.poly.2022.116136" target="_blank" >10.1016/j.poly.2022.116136</a>
Alternative languages
Result language
angličtina
Original language name
Spin state of two mononuclear iron(II) complexes of a tridentate bis(imino) pyridine N-donor ligand: Experimental and theoretical investigations
Original language description
Investigations on the spin states of octahedral Fe(II) complexes have received special attention due to their clear discrimination in the spin states of the d-orbitals. As a means to further understand the factors that influence the spin-crossover (SCO) phenomenon in Fe(II) systems, we herein report two mononuclear Fe(II) complexes, [FeL2] (ClO4)(2).2CH(3)OH [1] and [FeL2](BF4)(2).CH3CN.CH3OH [2], derived from a novel N(3)-donor Schiff base ligand, 2,6-bis[(3-methylbenzylimino)methyl]pyridine [L] with varying counteranion and the diamagnetic [ZnL2](BF4)2 congener for a comparative investigation. The complexes have been synthesized and characterized by electrospray-ionization mass spectrometry (ESI-MS), Fourier-transform infrared spectroscopy (FTIR), nuclear magnetic resonance (NMR) spectroscopy, single-crystal X-ray diffraction (XRD) and magnetic susceptibility studies. Structural and magnetic investigations reveal that both [1] and [2] show Fe--N6 distorted octahedral geometry and are locked in the diamagnetic LS state throughout the entire explored temperature range from 1.8 to 400 K. The LS state of [FeL2](2+) is also confirmed by comparing the experimentally found structural parameters, NMR chemical shifts and excitation energies in the visible region with density functional theory (DFT) calculations.
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
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
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
Polyhedron
ISSN
0277-5387
e-ISSN
1873-3719
Volume of the periodical
227
Issue of the periodical within the volume
November
Country of publishing house
GB - UNITED KINGDOM
Number of pages
9
Pages from-to
116136
UT code for WoS article
000858496800001
EID of the result in the Scopus database
2-s2.0-85138023367