Coordination Polymers Constructed from Semi-Rigid N,N′-Bis(3-pyridyl)terephthalamide and Dicarboxylic Acids: Effect of Ligand Isomerism, Flexibility, and Identity
Abstract
:1. Introduction
2. Materials and Methods
2.1. General Procedures
2.2. Materials
2.3. Preparations
2.3.1. [Cd(L)0.5(1,2-BDC)(H2O)]n, 1
2.3.2. {[Cd(L)1.5(1,3-BDC)(H2O)]·5H2O}n, 2a, and {[Cd(1,3-BDC)(H2O)3]·2H2O}n, 2b
2.3.3. {[Cd(L)0.5(1,4-BDC)(H2O)2]·H2O}n, 3
2.3.4. [Cu(L)0.5(5-tert-IPA)]n, 4
2.4. X-ray Crystallography
3. Results
3.1. Structure of 1
3.2. Structures of 2a and 2b
3.3. Structure of 3
3.4. Structure of 4
3.5. Ligand Conformation and Bonding Mode
3.6. Ligand Flexibility and Isomeric Effect
3.7. Thermal Properties
3.8. Luminescent Properties
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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1 | 2b | 3 | 4 | |
---|---|---|---|---|
Formula | C17H13CdN2O6 | C8 H14 Cd O9 | C17H17CdN2O8 | C21H19CuN2O5 |
Formula weight | 453.69 | 366.59 | 489.72 | 442.92 |
Crystal system | Monoclinic | Triclinic | Triclinic | Monoclinic |
Space group | P21/c | Pī | Pī | C2/c |
a, Å | 14.6784(10) | 10.2076(3) | 6.34570(10) | 21.600(3) |
b, Å | 5.8992(3) | 11.1103(3) | 9.4314(2) | 10.6511(15) |
c, Å | 19.8917(11) | 12.6791(3) | 16.7255(3) | 17.041(2) |
α,° | 90 | 102.1594(10) | 100.8415(12) | 90 |
β, ° | 107.498(4) | 102.2797(10) | 95.6385(12) | 100.715 |
γ, ° | 90 | 103.5718(10) | 104.0750(11) | 90 |
V, Å3 | 1642.74(17) | 1313.41(6) | 942.66(3) | 3852.2(9) |
Z | 4 | 4 | 2 | 8 |
Dcalc, Mg/m3 | 1.834 | 1.854 | 1.725 | 1.527 |
F(000) | 900 | 728 | 490 | 1824 |
µ(Mo Kα), mm−1 | 1.368 | 1.697 | 1.206 | 1.170 |
Range(2θ) for data collection, deg | 2.91 to 52.00 | 3.42 to 56.63 | 4.70 to 56.63 | 3.84 to 56.52 |
Independent reflections | 3173 [R(int) = 0.0794] | 6502 [R(int) = 0.0306] | 4703 [R(int) = 0.0344] | 4756 [R(int) = 0.0847] |
Data/restraints/parameters | 3173/0/241 | 6502/0/348 | 4703/0/269 | 4756/492/285 |
quality-of-fit indicator c | 1.004 | 1.003 | 1.034 | 1.059 |
Final R indices [I > 2σ(I)] a,b | R1 = 0.0436, wR2 = 0.0561 | R1 = 0.0305, wR2 = 0.0965 | R1 = 0.0303, wR2 = 0.0596 | R1 = 0.0589, wR2 = 0.1310 |
R indices (all data) | R1 = 0.0886, wR2=0.0638 | R1 = 0.0331, wR2 = 0.0994 | R1 = 0.0418, wR2=0.0633 | R1 = 0.0950, wR2=0.1486 |
Complex | Weight Loss of Solvent, T, °C (Observed/Calc),% | Weight Loss of Ligand, T, °C (Observed/Calc),% |
---|---|---|
1 | 100–280 (4.76/3.97) | 280–800 (81.83/71.42) |
3 | 40–95 (4.12/3.68) 100–350(8.21/7.35) | 360–706 (66.41/66.19) |
4 | 250–800 (81.98/85.79) |
Ligand. | λex (nm) | λem (nm) | Complex | λex (nm) | λem (nm) |
---|---|---|---|---|---|
L | 276 | 431 | 1 | 318 | 416 |
1,2-H2BDC | 283 | 340 | 3 | 334 | 434 |
1,4-H2BDC | 277/331 | 384 |
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Chen, C.-J.; Chen, C.-L.; Liu, Y.-H.; Lee, W.-T.; Hu, J.-H.; Chhetri, P.M.; Chen, J.-D. Coordination Polymers Constructed from Semi-Rigid N,N′-Bis(3-pyridyl)terephthalamide and Dicarboxylic Acids: Effect of Ligand Isomerism, Flexibility, and Identity. Chemistry 2021, 3, 1-12. https://doi.org/10.3390/chemistry3010001
Chen C-J, Chen C-L, Liu Y-H, Lee W-T, Hu J-H, Chhetri PM, Chen J-D. Coordination Polymers Constructed from Semi-Rigid N,N′-Bis(3-pyridyl)terephthalamide and Dicarboxylic Acids: Effect of Ligand Isomerism, Flexibility, and Identity. Chemistry. 2021; 3(1):1-12. https://doi.org/10.3390/chemistry3010001
Chicago/Turabian StyleChen, Chia-Jou, Chia-Ling Chen, Yu-Hsiang Liu, Wei-Te Lee, Ji-Hong Hu, Pradhumna Mahat Chhetri, and Jhy-Der Chen. 2021. "Coordination Polymers Constructed from Semi-Rigid N,N′-Bis(3-pyridyl)terephthalamide and Dicarboxylic Acids: Effect of Ligand Isomerism, Flexibility, and Identity" Chemistry 3, no. 1: 1-12. https://doi.org/10.3390/chemistry3010001