Magnetism, Conductivity and Spin-Spin Interactions in Layered Hybrid Structure of Anionic Radicals [Ni(dmit)2] Alternated by Iron(III) Spin-Crossover Complex [Fe(III)(3-OMe-Sal2trien)] and Ferric Moiety Precursors
Abstract
:1. Introduction
2. Results and Discussion
2.1. Crystal Structure
2.1.1. [Fe(III)(3-OMe-Sal2trien)][Ni(dmit)2] (1)
2.1.2. [Fe(III)(3-OMe-Sal2trien)]NO3·H2O (2)
2.1.3. [Fe(III)(3-OMe-Sal2trien)]I (3)
2.2. Magnetic Properties
Magnetic Susceptibility
2.3. Magnetization Curves
2.4. Transport Properties
2.5. EPR Properties
3. Materials and Methods
3.1. General
3.2. [Fe(3-OMe-Sal2trien)][Ni(dmit)2] (1)
3.3. [Fe(3-OMe-Sal2trien)]NO3·H2O (2)
3.4. [Fe(3-OMe-Sal2trien)]I (3)
3.5. Electron-Probe X-ray Spectral Microanalysis (RSMA)
3.6. Optical Characterization
3.7. X-ray Crystallography
3.8. Thermogravimetric Analysis
3.9. Measurements of Magnetic Properties
3.10. Measurements of Electrical Properties
3.11. Measurements of EPR Properties
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Conflicts of Interest
References
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1, 120 K | 2, 120 K | 2, 293 K | 3, 100 K | 3, 293 K | |
---|---|---|---|---|---|
Fe1 O1 | 1.909(2) | 1.873(1) | 1.874(1) | 1.917(1) | 1.915(2) |
Fe1 O3 | 1.913(2) | 1.873(1) | 1.873(1) | 1.915(1) | 1.905(2) |
Fe1 N1 | 2.120(2) | 1.926(1) | 1.927(1) | 2.119(2) | 2.111(3) |
Fe1 N2 | 2.173(2) | 2.005(2) | 2.006(1) | 2.167(2) | 2.184(3) |
Fe1 N3 | 2.171(2) | 1.996(1) | 2.001(1) | 2.175(2) | 2.171(3) |
Fe1 N4 | 2.103(2) | 1.924(1) | 1.927(1) | 2.117(2) | 2.109(3) |
O1 Fe1 O3 | 105.41(8) | 95.61(6) | 95.48(4) | 106.21(6) | 105.4(1) |
O1 Fe1 N1 | 86.45(8) | 94.30(6) | 94.08(4) | 84.93(7) | 85.0(1) |
O1 Fe1 N2 | 160.47(8) | 174.02(6) | 173.90(5) | 160.73(7) | 160.8(1) |
O1 Fe1 N3 | 93.70(8) | 89.23(6) | 89.34(5) | 94.74(7) | 95.0(1) |
O1 Fe1 N4 | 88.92(8) | 86.32(6) | 86.63(4) | 86.37(7) | 86.7(1) |
O3 Fe1 N1 | 96.43(7) | 87.02(6) | 87.23(4) | 100.56(6) | 100.1(1) |
O3 Fe1 N2 | 87.96(8) | 90.07(6) | 90.23(5) | 86.53(7) | 86.9(1) |
O3 Fe1 N3 | 155.23(8) | 174.72(6) | 174.62(5) | 152.92(7) | 153.6(1) |
O3 Fe1 N4 | 87.34(8) | 93.24(6) | 93.16(4) | 87.41(7) | 87.6(1) |
N1 Fe1 N2 | 77.81(8) | 84.12(7) | 84.04(5) | 78.43(7) | 78.3(1) |
N1 Fe1 N3 | 100.42(8) | 94.74(6) | 94.85(5) | 98.16(7) | 98.2(1) |
N1 Fe1 N4 | 174.67(8) | 179.31(6) | 179.16(5) | 169.56(7) | 169.9(1) |
N2 Fe1 N3 | 78.07(8) | 85.16(7) | 85.06(5) | 78.24(7) | 78.3(1) |
N2 Fe1 N4 | 106.17(8) | 95.24(6) | 95.22(5) | 109.02(7) | 108.8(1) |
N3 Fe1 N4 | 77.24(8) | 84.95(6) | 84.70(5) | 76.80(7) | 76.8(1) |
α | 94.39(6) | 75.84(4) | 75.24(3) | 106.12(5) | 103.6(1) |
angle (i-ii) | 88.1(1) | 31.2(1) | 31.7(1) | 85.7(1) | 86.0(3) |
angle (ii-iii) | 84.3(1) | 30.5(1) | 31.0(1) | 80.4(1) | 81.2(2) |
angle (i-iii) | 35.4(1) | 25.5(1) | 25.1(1) | 38.3(1) | 38.0(3) |
1 | 2 | 2 | 3 | 3 | |
---|---|---|---|---|---|
Chemical formula | C28H28FeN4NiO4S10 | C22H30FeN5O8 | C22H30FeN5O8 | C22H28FeIN4O4 | C22H28FeIN4O4 |
Formula weight | 919.70 | 548.36 | 548.36 | 595.23 | 595.23 |
Temperature (K) | 120 | 120 | 293 | 100 | 293 |
Cell setting | triclinic | monoclinic | monoclinic | monoclinic | monoclinic |
Space group, Z | P-1, 2 | P21/c, 4 | P21/c, 4 | P21/n, 4 | P21/n, 4 |
a (Å) | 10.4149(8) | 17.7659(8) | 17.9547(3) | 10.9107(1) | 10.6616(3) |
b (Å) | 10.8546(9) | 9.5962(4) | 9. 6817(1) | 17.223(1) | 17.6910(3) |
c (Å) | 17.662(1) | 14.4516(7) | 14.4568(2) | 13.7678(9) | 13.4855(2) |
α (o) | 74.178(2) | 90 | 90 | 90 | 90 |
β (o) | 80.256(2) | 110.495(1) | 110.178(2) | 106.136(1) | 104.866(2) |
γ (o) | 68.484(1) | 90 | 90 | 90 | 90 |
Cell volume (Å3) | 1781.8(2) | 2307.8(2) | 2358.82(6) | 2403.0(3) | 2458.42(9) |
Crystal size (mm) | 0.22 × 0.15 × 0.14 | 0.29 × 0.26 × 0.13 | 0.60 × 0.19 × 0.05 | 0.45 × 0.43 × 0.35 | 0.57 × 0.36 × 0.15 |
ρ (Mg/m3) | 1.714 | 1.578 | 1.544 | 1.645 | 1.608 |
μ (cm−1) | 15.63 | 7.14 | 6.99 | 19.47 | 19.03 |
Refls collected/unique/observed with I > 2σ(I) | 21631/9461/6661 | 27190/6138/5239 | 23118/6700/5748 | 18375/6360/5558 | 36353/8470/5887 |
Rint | 0.0399 | 0.0396 | 0.0242 | 0.0236 | 0.0260 |
θmax (o) | 29.00 | 29.00 | 31.01 | 29.00 | 32.71 |
Parameters refined | 439 | 364 | 385 | 297 | 291 |
Final R1(obs), wR2 (all) | 0.0365, 0.0732 | 0.0390, 0.0930 | 0.0310, 0.0870 | 0.0270, 0.0856 | 0.0568, 0.1758 |
Goodness-of-fit | 0.999 | 1.058 | 1.055 | 1.014 | 1.078 |
Residual electron density (e Å−3) | 0.461/−0.394 | 0.413/−0.549 | 0.372/−0.319 | 0.849/−0.829 | 2.364/−1.762 |
CCDC reference | 2031156 | 2031157 | 2031158 | 2031159 | 2031160 |
Sample Availability: Samples of the compounds 1, 2, 3 are available from the authors. |
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Shvachko, Y.N.; Spitsyna, N.G.; Starichenko, D.V.; Zverev, V.N.; Zorina, L.V.; Simonov, S.V.; Blagov, M.A.; Yagubskii, E.B. Magnetism, Conductivity and Spin-Spin Interactions in Layered Hybrid Structure of Anionic Radicals [Ni(dmit)2] Alternated by Iron(III) Spin-Crossover Complex [Fe(III)(3-OMe-Sal2trien)] and Ferric Moiety Precursors. Molecules 2020, 25, 4922. https://doi.org/10.3390/molecules25214922
Shvachko YN, Spitsyna NG, Starichenko DV, Zverev VN, Zorina LV, Simonov SV, Blagov MA, Yagubskii EB. Magnetism, Conductivity and Spin-Spin Interactions in Layered Hybrid Structure of Anionic Radicals [Ni(dmit)2] Alternated by Iron(III) Spin-Crossover Complex [Fe(III)(3-OMe-Sal2trien)] and Ferric Moiety Precursors. Molecules. 2020; 25(21):4922. https://doi.org/10.3390/molecules25214922
Chicago/Turabian StyleShvachko, Yuri N., Nataliya G. Spitsyna, Denis V. Starichenko, Vladimir N. Zverev, Leokadiya V. Zorina, Sergey V. Simonov, Maksim A. Blagov, and Eduard B. Yagubskii. 2020. "Magnetism, Conductivity and Spin-Spin Interactions in Layered Hybrid Structure of Anionic Radicals [Ni(dmit)2] Alternated by Iron(III) Spin-Crossover Complex [Fe(III)(3-OMe-Sal2trien)] and Ferric Moiety Precursors" Molecules 25, no. 21: 4922. https://doi.org/10.3390/molecules25214922