Two Dimensional Magnetic Coordination Polymers Formed by Lanthanoids and Chlorocyananilato †
Abstract
:1. Introduction
2. Results and Discussion
2.1. Syntheses of the Complexes
2.2. X-ray Power Diffraction (XRPD)
2.3. IR Spectroscopy
2.4. Description of the Structures
2.5. Comparison of the Structures
2.6. Magnetic Properties
3. Experimental Section
3.1. Starting Materials
3.2. Synthesis of [Nd2(C6O4(CN)Cl)3(DMF)6] (1)
3.3. Synthesis of [Dy2(C6O4(CN)Cl)3(DMF)6]·4H2O (2)
3.4. Synthesis of [Ho2(C6O4(CN)Cl)3(DMF)6]·2H2O (3)
3.5. Synthesis of [Ce2(C6O4(CN)Cl)3(DMSO)6] (4)
3.6. Synthesis of [Nd2(C6O4(CN)Cl)3(DMSO)6] (5)
3.7. Magnetic Measurements
3.8. Crystallographic Data Collection and Refinement
3.9. X-ray Powder Diffraction
3.10. IR Spectroscopy
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Acknowledgments
Conflicts of Interest
References
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1 | 2 | 3 | 4 | 5 | |
---|---|---|---|---|---|
Formula | C39H42Cl3 N9O18Nd2 | C39H50Cl3 N9O22Dy2 | C39H46Cl3 N9O20Ho2 | C33H36Cl3 N3O18S6Ce2 | C33H36Cl3 N3O18S6Nd2 |
F. Wt. | 1319.64 | 1428.22 | 1397.05 | 1341.63 | 1349.88 |
Space group (#) | P21/n (14) | C2/c (15) | C2/c (15) | P21/n (14) | P21/n (14) |
Crystal system | Monoclinic | Monoclinic | Monoclinic | Monoclinic | Monoclinic |
a (Å) | 10.5126(5) | 13.6849(3) | 13.8612(6) | 9.5974(2) | 9.6212(3) |
b (Å) | 18.8316(10) | 22.8267(6) | 23.0470(10) | 16.4105(3) | 16.3828(4) |
c (Å) | 12.7477(5) | 17.7221(4) | 17.9615(8) | 15.3719(3) | 15.2790(3) |
α (°) | 90 | 90 | 90 | 90 | 90 |
β (°) | 97.445(5) | 98.349(2) | 98.363(4) | 91.111(2) | 91.989 |
γ (°) | 90 | 90 | 90 | 90 | 90 |
V/Å3 | 2502.4(2) | 5477.4(2) | 5676.9(4) | 2420.59(8) | 2406.86(11) |
Z | 2 | 4 | 4 | 2 | 2 |
T (K) | 120 | 120 | 120 | 120 | 120 |
ρcalc/g cm−3 | 1.751 | 1.722 | 1.630 | 1.791 | 1.812 |
μ/mm−1 | 2.291 | 2.936 | 2.983 | 2.351 | 2.630 |
F(000) | 1308 | 2792 | 2736 | 1252 | 1260 |
R(int) | 0.0558 | 0.0283 | 0.0207 | 0.0302 | 0.0573 |
θ range (deg) | 3.400–25.040 | 3.360–25.035 | 3.324–25.045 | 3.267–28.009 | 3.267–25.036 |
Total reflections | 9854 | 10265 | 11058 | 9482 | 15285 |
Unique reflections | 4419 | 4835 | 5005 | 4858 | 4251 |
Data with I > 2σ(I) | 3048 | 4155 | 4527 | 4062 | 3221 |
Nvar | 334 | 352 | 361 | 338 | 347 |
R1 a on I > 2σ(I) | 0.0718 | 0.0376 | 0.0296 | 0.0612 | 0.0553 |
wR2b (all) | 0.1808 | 0.0988 | 0.0767 | 0.1509 | 0.1375 |
GOF c on F2 | 1.061 | 1.041 | 1.078 | 1.066 | 1.029 |
Δρmax (eÅ−3) | 1.644 | 1.354 | 0.836 | 2.088 | 2.424 |
Δρmin (eÅ−3) | −1.581 | −1.021 | −0.561 | −1.314 | −1.216 |
Bond a | 1 | 2 | 3 | 4 | 5 |
---|---|---|---|---|---|
Ln-O2 | 2.513(7) | 2.444(4) | 2.407(3) | 2.571(5) | 2.512(5) |
Ln-O3 | 2.493(7) | 2.439(4) | 2.497(3) | 2.556(5) | 2.538(5) |
Ln-O5 | 2.513(7) | 2.491(4) | 2.408(3) | 2.572(5) | 2.545(5) |
Ln-O6 | 2.510(7) | 2.387(4) | 2.514(3) | 2.596(5) | 2.540(6) |
Ln-O12 | 2.498(7) | 2.470(4) | 2.458(3) | 2.554(5) | 2.507(5) |
Ln-O16 | 2.518(8) | 2.381(3) | 2.466(3) | 2.567(6) | 2.529(6) |
<Ln-O#> | 2.508 | 2.454 | 2.470 | 2.569 | 2.529 |
Ln-O1D | 2.440(9) | 2.336(4) | 2.357(3) | 2.436(6) | 2.394(6) |
Ln-O11D | 2.444(8) | 2.382(4) | 2.407(3) | 2.437(6) | 2.420(6) |
Ln-O21D | 2.417(8) | 2.371(4) | 2.396(3) | 2.437(6) | 2.391(6) |
<Ln-O#D> | 2.434 | 2.363 | 2.387 | 2.437 | 2.402 |
Geometry | Symmetry | 1 | 2 | 3 | 4 | 5 |
---|---|---|---|---|---|---|
EP-9 | D9h | 35.159 | 36.051 | 36.078 | 36.498 | 36.635 |
OPY-9 | C8v | 21.266 | 22.416 | 22.466 | 22.477 | 22.648 |
HBPY-9 | D7h | 18.045 | 20.482 | 20.529 | 19.269 | 19.057 |
JTC-9 | C3v | 14.924 | 15.489 | 15.517 | 15.902 | 16.172 |
JCCU-9 | C4v | 9.355 | 10.612 | 10.580 | 10.849 | 10.831 |
CCU-9 | C4v | 7.898 | 9.589 | 9.561 | 9.618 | 9.703 |
JCSAPR-9 | C4v | 1.637 | 1.197 | 1.180 | 1.741 | 1.528 |
CSAPR-9 | C4v | 0.507 | 0.317 | 0.301 | 0.846 | 0.669 |
JTCTPR-9 | D3h | 3.060 | 1.971 | 1.986 | 2.490 | 2.386 |
TCTPR-9 | D3h | 1.162 | 0.884 | 0.884 | 0.934 | 0.908 |
JTDIC-9 | C3v | 12.573 | 13.277 | 13.250 | 11.695 | 12.101 |
HH-9 | C2v | 12.212 | 12.507 | 12.556 | 11.578 | 11.696 |
MFF-9 | Cs | 1.280 | 0.865 | 0.849 | 1.088 | 0.981 |
Compound | χmTexperimental a (cm3 K mol−1) | g | S | L | J | χmTcalculated (cm3 K mol−1) |
---|---|---|---|---|---|---|
[Nd2(C6O4(CN)Cl)3(DMF)6] (1) | 1.65 | 8/11 | 3/2 | 6 | 9/2 | 1.64 |
[Dy2(C6O4(CN)Cl)3(DMF)6]·4H2O (2) | 14.4 | 4/3 | 5/2 | 5 | 15/2 | 14.17 |
[Ho2(C6O4(CN)Cl)3(DMF)6]·2H2O (3) | 14.4 | 5/4 | 2 | 6 | 8 | 14.07 |
[Ce2(C6O4(CN)Cl)3(DMSO)6] (4) | 0.8 | 6/7 | 1/2 | 3 | 5/2 | 0.80 |
[Nd2(C6O4(CN)Cl)3(DMSO)6] (5) | 1.6 | 8/11 | 3/2 | 6 | 9/2 | 1.64 |
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Benmansour, S.; Hernández-Paredes, A.; Gómez-García, C.J. Two Dimensional Magnetic Coordination Polymers Formed by Lanthanoids and Chlorocyananilato. Magnetochemistry 2018, 4, 58. https://doi.org/10.3390/magnetochemistry4040058
Benmansour S, Hernández-Paredes A, Gómez-García CJ. Two Dimensional Magnetic Coordination Polymers Formed by Lanthanoids and Chlorocyananilato. Magnetochemistry. 2018; 4(4):58. https://doi.org/10.3390/magnetochemistry4040058
Chicago/Turabian StyleBenmansour, Samia, Antonio Hernández-Paredes, and Carlos J. Gómez-García. 2018. "Two Dimensional Magnetic Coordination Polymers Formed by Lanthanoids and Chlorocyananilato" Magnetochemistry 4, no. 4: 58. https://doi.org/10.3390/magnetochemistry4040058