A new efficient synthesis of 5‐bromotetrazole is presented. The free acid bromotetrazole was synthesized in a straightforward reaction analogous to the production of nitrotetrazole. Its sodium salt was readily produced via acid/base salt metathesis. Both products were characterized chemically and as energetic materials by1H and13C NMR, IR, High Resolution Mass Spectrometry, x‐ray crystallography, TGA, impact and friction tests.
Metal-free, magnesium, titanyl, and vanadyl tetrapyrazinoporphyrazines substituted with eight 2,6-diisopropylphenoxy groups at the peripheral positions were prepared and characterized by NMR, UV-Vis, magnetic circular dichroism (MCD), and mass spectrometry methods. In addition, the Pc(2,6iPrPhO)8VO complex was characterized by EPR spectroscopy and X-ray crystallography. Reaction between TiCl4with 4,5-(2,6-diisopropylphenoxy)phthalonitrile in N,N-dimethylaminoethanol resulted in the formation of a red open-chain trimer, which was characterized by mass spectrometry and X-ray crystallography. Electronic structures of new compounds and their excited state properties were probed by Density Functional Theory (DFT) and Time-Dependent DFT (TDDFT) methods.
more » « less- Award ID(s):
- 2153081
- NSF-PAR ID:
- 10512041
- Publisher / Repository:
- World Scientific
- Date Published:
- Journal Name:
- Journal of Porphyrins and Phthalocyanines
- Volume:
- 27
- Issue:
- 01n04
- ISSN:
- 1088-4246
- Page Range / eLocation ID:
- 363 to 372
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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