Theoretical study for high-energy-density compounds from cyclophosphazene III. A quantum chemistry study: High nitrogen-contented energetic compound of 1,1,3,3,5,5,7,7-octaazido-cyclo-tetraphosphazene: N4P4(N3)8
Inorganica Chimica Acta(2008)
Abstract
Molecular structure, vibrational frequencies and infrared intensities of 1,1,3,3,5,5,7,7-octaazido-cyclo-tetraphosphazene have been studied employing quantum chemistry methods. The NBO population analysis and the heats of formation for the compound was accomplished with the same methods.
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Key words
Vibrational frequencies,NBO population analysis,Heats of formation,1,1,3,3,5,5,7,7- Octaazido-cyclo-tetraphosphazene (N4P4(N3)8)
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