Synthesis, Structure and Solid State Properties of Cyclohexanemethylamine Substituted Phenalenyl Based Molecular Conductor
Abstract
:1. Introduction
2. Results and Discussion
2.1. Synthesis of Ligand, Preparation and Electrochemical Properties of Radical 11
2.2. X-ray Crystal Structure of 11
Compound | 11 | 7 |
Temperature | 100(2) K | 223(2) K |
Formula | C40H40BN2O2 | C40H28BN2O2 |
Formula Weight | 591.55 | 579.45 |
Crystal System | Monoclinic | Monoclinic |
Space group | C2/c | C2/c |
a, Å | 21.4373(15) | 23.386(2) |
b, Å | 6.1623(4) | 5.7326(6) |
c, Å | 23.2775(16) | 20.963(2) |
α, degree | 90 | 90 |
β, degree | 97.597 (4) | 97.782 |
γ, degree | 90 | 90 |
V, Å3 | 3048(4) | 2784.6(5) |
Z | 4 | 4 |
Crystal size, mm3 | 0.40 × 0.39 × 0.15 | 0.55 × 0.19 × 0.17 |
Theta range for data collection | 1.77 to 27.52° | 1.76 to 26.37° |
Reflection collected | 19619 | 8590 |
Independent reflections | 3460 | 2209 |
Goodness-of-fit on F2 | 1.033 | 1.038 |
Final R indices [I > 2sigma(I)] | R1 = 0.0401 wR2 = 0.1005 | R1 = 0.0396 wR2 = 0.1027 |
R indices (all data) | R1 = 0.0607, wR2 = 0.1157 | R1 = 0.0524, wR2 = 0.1142 |
2.3. Magnetic Susceptibility of 11
2.4. Conductivity of 11
2.5. Optical Measurement of 11
2.6. Band Electronic Structure of 11
3. Experimental Section
3.1. Materials
3.2. Preparation of NCH2CyHx, O-PLY
3.3. Preparation of [(NCH2CyHx,O-PLY)2B]+BPh4− (11+BPh4−)
3.4. Crystallization of [(NCH2CyHx,O-PLY)2B]• (11)
3.5. Cyclic Voltammetry
3.6. X-ray Crystallography
3.7. Magnetic Susceptibility Measurements
3.8. Conductivity Measurements
3.9. Single-Crystal Near- and Mid-Infrared Transmission Spectroscopy
3.10. Band Structure Calculations
3.11. Electron Paramagnetic Resonance Spectroscopy
4. Conclusions
Conflict of Interest
Acknowledgements
Supplementary Files
References
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Bag, P.; Itkis, M.E.; Pal, S.K.; Bekyarova, E.; Donnadieu, B.; Haddon, R.C. Synthesis, Structure and Solid State Properties of Cyclohexanemethylamine Substituted Phenalenyl Based Molecular Conductor. Crystals 2012, 2, 446-465. https://doi.org/10.3390/cryst2020446
Bag P, Itkis ME, Pal SK, Bekyarova E, Donnadieu B, Haddon RC. Synthesis, Structure and Solid State Properties of Cyclohexanemethylamine Substituted Phenalenyl Based Molecular Conductor. Crystals. 2012; 2(2):446-465. https://doi.org/10.3390/cryst2020446
Chicago/Turabian StyleBag, Pradip, Mikhail E. Itkis, Sushanta K. Pal, Elena Bekyarova, Bruno Donnadieu, and Robert C. Haddon. 2012. "Synthesis, Structure and Solid State Properties of Cyclohexanemethylamine Substituted Phenalenyl Based Molecular Conductor" Crystals 2, no. 2: 446-465. https://doi.org/10.3390/cryst2020446