Synthesis, crystal structure and NMR-study new mononuclear paramagnetic Er (III) complex based on imine derivatives of thiacalix[4]arene
Full article
| Journal |
Inorganica Chimica Acta
ISSN: 1873-3255
, E-ISSN: 0020-1693
|
| Output data |
Year: 2023,
Volume: 545,
Article number
: 121267,
Pages count
: 10
DOI:
10.1016/j.ica.2022.121267
|
| Authors |
Zapolotsky Eugeny N.
1
,
Babailov Sergey P.
1
,
Kniazeva Mariia V.
2
,
Strelnikova Yuliia V.
3
,
Ovsyannikov Alexander S.
2
,
Gubaidullin Aidar T.
2
,
Solovieva Svetlana E.
2
,
Antipin Igor S.
3
,
Fomin Eduard S.
4
,
Chuikov Igor P.
5
|
| Affiliations |
| 1 |
Nikolaev Institute of Inorganic Chemistry SB RAS, pr. Lavrentyev, 3, Novosibirsk, 630090, Russian Federation
|
| 2 |
Arbuzov Institute of Organic and Physical Chemistry of FRC Kazan Scientific Center of RAS, Arbuzov str. 8, Kazan, 420088, Russian Federation
|
| 3 |
Kazan Federal University, Kremlevskaya 18, Kazan 420008, Russian Federation
|
| 4 |
Institute of Cytology and Genetics SB RAS, Novosibirsk, Russian Federation
|
| 5 |
N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry, The Siberian Branch of the Russian Academy of Sciences, Russian Federation
|
|
Funding (2)
|
1
|
Russian Science Foundation
|
20-63-46026
|
|
2
|
Russian Science Foundation
|
22-73-10139
|
The synthesis, crystal structure and NMR-study of new paramagnetic Er (III) complex based on imine derivatives of thiacalix[4]arene was carried out. Temperature dependences of the 1H NMR spectra of complex Er(III) and calix[4]arene with N-contained substituents (I) have been analyzed using the line shape analysis, taking into account the temperature variation of paramagnetic chemical shifts, within the frame of the dynamic NMR method. Two kinds of molecular dynamics in I are reported for the CDCl3 solution. The first one conformational dynamics is conditioned by the pinched cone A <-> pinched cone B interconversion with activation free energy Delta G not equal(298 K) = 40 +/- 3 kJ/mol (observed at low temperature). The second one dynamics is connected with rearrangements in coordination environment (with Delta G not equal(298 K) = 58 +/- 3 kJ/mol). Due to substantial temper-ature dependence of paramagnetic shifts, the complex I can be considered as NMR thermosensor reagent for local temperature monitoring. Owing to the large magnetic moments typical for many Ln-ions and especially high value of magnetic anisotropy for Er cation (III) adopting capped trigonal prismatic geometry of coordination sphere one may expect that 1-Er can potentially exhibit SMM behavior.