Ni(II) Dimers of NNO Donor Tridentate Reduced Schiff Base Ligands as Alkali Metal Ion Capturing Agents: Syntheses, Crystal Structures and Magnetic Properties
Abstract
:1. Introduction
2. Results and Discussion
2.1. Syntheses of the Complexes
2.2. IR and UV–Vis Spectra of the Complexes
2.3. Description of the Crystal Structures
2.4. Magnetic Properties
2.5. Theoretical Magnetic Calculation
2.6. Comparison of Structural and Magnetic Parameters
3. Experimental Section
3.1. Starting Materials
3.2. Synthesis of the Ligands 2-[(3-Methylamino-propylamino)-methyl]-phenol (HL1), 2-[(3-Methylamino-propylamino)-methyl]-4-chloro-phenol (HL2), 2-[(3-Methylamino-propylamino)-methyl]-6-methoxy-phenol (HL3)
3.3. Synthesis of the Complexes [Ni2(L1)2NaCl3(H2O)]·H2O (1), [Ni2(L2)2NaCl3(H2O)] (2), and [Ni2(L3)2NaCl3(OC4H10)] (3)
3.4. Physical Measurements
3.5. X-ray Crystallographic Data Collection and Refinement
3.6. Computational Methodology
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Acknowledgments
Conflicts of Interest
References
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D-H…A | d(D-H) | d(D…A) | d(H…A) | <(D-H…A) | |
---|---|---|---|---|---|
Complex 1 | N(19)-H(19)…Cl(2)$1 | 0.98 | 3.331(3) | 2.61 | 130 |
Complex 2 | N(19)-H(19)…Cl(2)$1 | 0.98 | 3.332(2) | 2.56 | 136 |
Complex 3 | N(19)-H(19)…Cl(2)$1 | 0.98 | 3.345(1) | 2.62 | 131 |
Complex Name | Ni–O Bond Lengths (Å) | Ni–Ni Distance (Å) | Ni–O–Ni Angle(°) | Coupling Constant (J) Theoretical (BS DFT) (cm−1) | Coupling Constant (J) Experimental (cm−1) |
---|---|---|---|---|---|
1 | 2.164(2) 2.049(2) | 2.963(1) | 89.32(8) | 4.25 | 3.97 |
2 | 2.164(2) 2.053(2) | 2.967(1) | 89.39(6) | 3.56 | 4.66 |
3 | 2.034(1) 2.318(1) | 3.011(1) | 87.32(4) | 5.50 | 5.50 |
Ni1 | −1.626 |
Na1 | 0.000 |
Cl1 | 0.000 |
Cl2 | −0.080 |
O11 | −0.026 |
Ni1a | 1.626 |
Cl2a | 0.080 |
O11a | 0.026 |
Ni1 | −1.627 |
Na1 | 0.000 |
Cl1 | 0.000 |
Cl2 | −0.079 |
O11 | −0.024 |
Ni1a | 1.627 |
Cl2a | 0.079 |
O11a | 0.024 |
Ni1 | −1.629 |
Na1 | 0.000 |
Cl1 | 0.000 |
Cl2 | −0.082 |
O11 | −0.033 |
Ni1a | 1.629 |
Cl2a | 0.082 |
O11a | 0.033 |
Compound | 1 | 2 | 3 |
---|---|---|---|
Chemical formula | C22H36Cl3N4NaNi2O3 | C22H34Cl5N4NaNi2O3 | C28H48Cl3N4Na Ni2O5 |
Formula weight | 651.31 | 720.19 | 767.46 |
Crystal system | Monoclinic | Monoclinic | Monoclinic |
Space group | C2/c | C2/c | C2/c |
a(Å) | 22.2673(8) | 17.9326(17) | 21.7316(10) |
b (Å) | 11.8915(4) | 17.1847(16) | 12.1574(5) |
c (Å) | 15.7543(10) | 11.7063(11) | 15.8456(12) |
β, deg | 129.106(1) | 112.796(2) | 126.9090(10) |
V (Å3) | 3237.1(3) | 3325.7(5) | 3347.4(3) |
Z | 4 | 4 | 4 |
ρcalc (g cm−3) | 1.336 | 1.438 | 1.523 |
µ (Mo Kα) (mm−1) | 1.451 | 1.575 | 1.420 |
F(000) | 1352 | 1480 | 1608 |
Reflections collected | 17,507 | 40,193 | 32,846 |
Independent reflections | 3603 | 2956 | 3815 |
Reflections with I > 2σ(I) | 3031 | 2808 | 3470 |
R1a, wR2b | 0.0489, 0.1745 | 0.0316, 0.0988 | 0.0269, 0.0706 |
R1],wR2 [all data] | 0.0572, 0.1834 | 0.0331, 0.1004 | 0.0308, 0.0705 |
GOF c | 1.065 | 1.125 | 1.036 |
Residual electron Density, e/Å−3 | 1.762, −0.301 | 0.826, −0.413 | 0.518, −0.378 |
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Mondal, M.; Chakraborty, M.; Drew, M.G.B.; Ghosh, A. Ni(II) Dimers of NNO Donor Tridentate Reduced Schiff Base Ligands as Alkali Metal Ion Capturing Agents: Syntheses, Crystal Structures and Magnetic Properties. Magnetochemistry 2018, 4, 51. https://doi.org/10.3390/magnetochemistry4040051
Mondal M, Chakraborty M, Drew MGB, Ghosh A. Ni(II) Dimers of NNO Donor Tridentate Reduced Schiff Base Ligands as Alkali Metal Ion Capturing Agents: Syntheses, Crystal Structures and Magnetic Properties. Magnetochemistry. 2018; 4(4):51. https://doi.org/10.3390/magnetochemistry4040051
Chicago/Turabian StyleMondal, Monotosh, Maharudra Chakraborty, Michael G. B. Drew, and Ashutosh Ghosh. 2018. "Ni(II) Dimers of NNO Donor Tridentate Reduced Schiff Base Ligands as Alkali Metal Ion Capturing Agents: Syntheses, Crystal Structures and Magnetic Properties" Magnetochemistry 4, no. 4: 51. https://doi.org/10.3390/magnetochemistry4040051