The structures of aand b-HMX were fully optimized and the vibrational frequencies computed at the hybrid DFT B3LYP/6-31G(d, p) level of theory. The DCI mass spectrum of HMX using ammonia (NH 3 ) as a ™soft∫ ionising gas is reported. Field desorption mass spectrometry (FD) was used because of the hig
1H nuclear magnetic resonance of α-hexahydro-1,3,5-trinitro-s-triazine (RDX) and the α-, β-, γ- and δ-polymorphs of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX)
✍ Scribed by A. G. Landers; T. M. Apple; Cecil Dybowski; T. B. Brill
- Publisher
- John Wiley and Sons
- Year
- 1985
- Tongue
- English
- Weight
- 265 KB
- Volume
- 23
- Category
- Article
- ISSN
- 0749-1581
No coin nor oath required. For personal study only.
✦ Synopsis
H NMR spectra of the energetic materials a -h e x ~y d r o -1 , 3 , 5 -~~o -s -~~e (RDX) and the a-, 8-, yand S-polymorphs of octahydro-1,3,5,7-te~tro-l,3,5,7-tetrazocine (HMX) have been obtained in the solid phase. Primary and secondary dipole-dipole interactions can be observed, which allows calculation of the intramolecular H ---H distances. The spectra suggest that y-HMX, the molecular structure of which is unknown, possesses a chair-chair ring conformation similar to that of a-and S-HMX.
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