Spin crossover in iron(II) complexes with new ligand 2,6-bis(4,5-dimethyl-1H-imidazole-2-yl)pyridine

Иванова, А. Д.; Коротаев, Е. В.; Komarov, V. Yu.; Sukhikh, Taisiya S.; Трубина, С. В.; Sheludyakova, L. A.; Petrov, Sergey A.; Tikhonov, А. Ya.; Лавренова, Л. Г.

doi:10.1016/j.ica.2021.120746

Cited by 9 publications

(11 citation statements)

References 40 publications

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“…The geometric parameters of the nearest coordination sphere of the iron ion (Table 1) indicate that the Fe(II) coordination spheres of complex cations are distorted octahedra with similar Fe-N distances for nitrogen atoms in axial and equatorial positions. Note that the Fe-N distances obtained for the [Fe(L m ) 2 ] 2+ complex cations agree with the EXAFS spectroscopy structural data for the [Fe(L m ) 2 ]A i ÁnH 2 O compounds [24][25][26][27].…”

Section: Theoretical Approach Methods and Computational Detailssupporting

confidence: 81%

“…It is these nine complexes that showed interesting regularities of experimental IS and QS values. The IS and MS parameters of L2 containing compounds (independently on A) exceed those of L1 and L3 containing compounds by <0.02> and <0.1> mm/s, respectively [24–27]. In the present work, this difference between the MS parameters is explained by means of quantum chemical computations and the IS and QS analysis for molecular complexes of iron(II) with 2,6‐bis(1 H ‐imidazole‐2‐yl)pyridines.…”

Section: Introductionmentioning

confidence: 76%

“…Since no detailed structural data have been ever reported for the considered three groups of compounds (each group containing the same complex cations) [24][25][26][27][28][29], we considered three complex cations [Fe(L m ) 2 ] 2+ (m = 1, 2, 3) without taking into account the environment (anions and water molecules). Note that the studied complex cations and their structural analogues are not included in the list of complexes considered in References [29][30][31][32][33].…”

Section: Theoretical Approach Methods and Computational Detailsmentioning

confidence: 99%

“…The experimental error is shown in parentheses. a Experimental quadrupole splitting (QS) values according to[24][25][26][27].…”

mentioning

confidence: 99%

“…(1H-imidazole-2-yl)pyridines [21]. We earlier reported a number of works devoted to the study of iron(II) complexes with 2,6-bis(1H-imidazole-2-yl)pyridine derivatives (Scheme 1) exhibiting the 1 A 1 $ 5 T 2 spin crossover [22][23][24][25][26][27].…”

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confidence: 99%

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A DFT and Mössbauer spectroscopy investigation of spin‐crossover iron(II) complexes with 2,6‐bis(1H‐imidazol‐2‐yl)pyridines

Kozlova

Petrov

Tikhonov

et al. 2023

Int J of Quantum Chemistry

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A quantum chemical study was carried out for a number of iron(II) complexes [FeL2]Ai·nH2O (L = 2,6‐bis(1H‐imidazole‐2‐yl)pyridine (L1); 2,6‐(4,5‐dimethyl‐1H‐imidazole‐2‐yl)pyridine (L2); 2,6‐bis(1H‐benzimidazole‐2‐yl)pyridine (L3); A = ReO4−, B10H102−, B12H122−; n = 0–2). These complexes exist in the low spin (LS) form 1A1 (total electron spin S = 0) at room temperature and switch to the high spin (HS) form 5T2 (S = 2) upon heating. The experimental isomeric shift and quadrupole splitting values for compounds with L2 exceed those for compounds with L1 and L3 by <0.02> mm/s and <0.1> mm/s, respectively (for LS forms). Such a discrepancy between MS parameters can be explained by the assumption that chemical bonding between the iron ion and the surrounding nitrogen atoms in the compounds with L2 may be more ionic in character than that in the compounds with L1 and L3. At the same time, the results obtained with the TPSSh hybrid meta‐GGA functional gave a better agreement with the experimental data than those obtained with the B3LYP exchange‐correlation functional.

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Section: Theoretical Approach Methods and Computational Detailssupporting

confidence: 81%

Section: Introductionmentioning

confidence: 76%

Section: Theoretical Approach Methods and Computational Detailsmentioning

confidence: 99%

“…The experimental error is shown in parentheses. a Experimental quadrupole splitting (QS) values according to[24][25][26][27].…”

mentioning

confidence: 99%

mentioning

confidence: 99%

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A DFT and Mössbauer spectroscopy investigation of spin‐crossover iron(II) complexes with 2,6‐bis(1H‐imidazol‐2‐yl)pyridines

Kozlova

Petrov

Tikhonov

et al. 2023

Int J of Quantum Chemistry

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2,6-Bis(4,5-diethyl-1H-imidazol-2-yl)pyridine and its complex with divalent iron: the synthesis and study

Os’kina,

Korotaev,

Trubina

et al. 2023

Russ Chem Bull

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Observation of T_LIESST above Liquid Nitrogen Temperature and Disclosure of Hidden Hysteresis in Multiresponsive Hofmann-type Coordination Polymers

Mondal,

Kumar,

Shome

et al. 2024

Inorg. Chem.

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Photoresponsive spin-crossover (SCO) molecules are an important class of bistable magnetic molecules with intriguing potential in device applications. The light-induced excited spin state trapping (LIESST) and the combined application of light and temperature can provide access to the metastable region of the SCO profile. The primary obstacle in utilizing light stimuli is the manifestation of light-induced trappings at extremely low temperatures. Herein, we report two novel multiresponsive 2D Hofmann-type coordination polymers exhibiting light-induced excited spin state trapping above liquid nitrogen temperature (T LIESST = 82 and 81 K). Stimulating the samples in conjugation with light and temperature successfully unveils hysteresis, which is otherwise concealed. Apart from light and temperature, we found that the SCO phenomenon is also responsive to external hydrostatic pressure and exhibits modulation of the hysteresis width and transition temperature shifts with changes in pressure.

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Spin crossover in iron(II) complexes with new ligand 2,6-bis(4,5-dimethyl-1H-imidazole-2-yl)pyridine

Cited by 9 publications

References 40 publications

A DFT and Mössbauer spectroscopy investigation of spin‐crossover iron(II) complexes with 2,6‐bis(1H‐imidazol‐2‐yl)pyridines

A DFT and Mössbauer spectroscopy investigation of spin‐crossover iron(II) complexes with 2,6‐bis(1H‐imidazol‐2‐yl)pyridines

2,6-Bis(4,5-diethyl-1H-imidazol-2-yl)pyridine and its complex with divalent iron: the synthesis and study

Observation of T_LIESST above Liquid Nitrogen Temperature and Disclosure of Hidden Hysteresis in Multiresponsive Hofmann-type Coordination Polymers

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Spin crossover in iron(II) complexes with new ligand 2,6-bis(4,5-dimethyl-1H-imidazole-2-yl)pyridine

Cited by 9 publications

References 40 publications

A DFT and Mössbauer spectroscopy investigation of spin‐crossover iron(II) complexes with 2,6‐bis(1H‐imidazol‐2‐yl)pyridines

A DFT and Mössbauer spectroscopy investigation of spin‐crossover iron(II) complexes with 2,6‐bis(1H‐imidazol‐2‐yl)pyridines

2,6-Bis(4,5-diethyl-1H-imidazol-2-yl)pyridine and its complex with divalent iron: the synthesis and study

Observation of TLIESST above Liquid Nitrogen Temperature and Disclosure of Hidden Hysteresis in Multiresponsive Hofmann-type Coordination Polymers

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Observation of T_LIESST above Liquid Nitrogen Temperature and Disclosure of Hidden Hysteresis in Multiresponsive Hofmann-type Coordination Polymers