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| Titel: |
A novel compound [Mn(H2O)6](AMTZ)2(PA)2 (AMTZ = 4-amino-3,5-dimethyl-1,2,4-triazole and PA = Picrate) with Extensive hydrogen bonds: Synthesis, structure and thermal characters |
| Auteur: |
Bi, Yan-Gang Wu, Bi-Dong Xue, Lin-jun Zhou, Zun-Ning Yang, Li Zhang, Jian-Guo Zhang, Tong-Lai |
| Verschenen in: |
Main group chemistry |
| Paginering: | Jaargang 13 (2014) nr. 1 pagina's 41-52 |
| Jaar: |
2014-02-27 |
| Inhoud: |
The title compound 1, [Mn(H2O)6](AMTZ)2(PA)2, contains 4-animo-3,5-dimethyl-1,2,4-triazole (AMTZ) and picrate (PA) and was characterized by elemental analysis, FT-IR spectroscopy and Single-Crystal X-ray diffraction. The space group of compound 1 is triclinic P-1(2), with a = 6.797(2) Å, b = 9.800(3) Å, c = 13.197(4) Å, α=,β=,γ=. The central Mn2+ is octahedral and surrounded by two kinds of centrosymmetric molecules, AMTZ and PA. The compound has an extended 3-D supramolecular structure due to water molecules coordinated though hydrogen bonds to the nitrogen and oxygen atoms and the offset face-to-face π ··· π packing. The differential scanning calorimetry (DSC) analysis shows that two exothermic processes take place at 341.4°C and 473.9°C. The kinetic parameter of the first exothermic process was studied using Kissinger's method and Ozawa's method. This provided the enthalpy of formation (−3337.7 kJ·mol−1), critical temperature of thermal explosion (588.79 K). The entropy of activation (ΔS≠), enthalpy of activation (ΔH≠), and free energy of activation (ΔG≠) were, respectively, −209.78 J·K−1·mol−1, 155.50 kJ·mol−1 and 267.75 kJ·mol−1. A flame sensitivity test showed that the 50% firing height (h50) was 20 cm. |
| Uitgever: |
IOS Press |
| Bronbestand: |
Elektronische Wetenschappelijke Tijdschriften |
Details van artikel 2 van 9 gevonden artikelen
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