Journal
INORGANIC CHEMISTRY
Volume 50, Issue 21, Pages 11235-11241Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ic201802x
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Funding
- Deutsche Forschungsgemeinschaft (DFG)
- Fonds der Chemischen Industrie
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Two explosive triazides of phosphorus(V), OP(N-3)(3) and SP(N-3)(3), have been prepared as neat substances and structurally characterized. Both compounds can be handled in gas, liquid, and solid states in submillimolar quantities. The melting points of OP(N-3)(3) and SP(N-3)(3) are +22 and -30 degrees C, respectively. The two triazides have been characterized by IR (Ar matrix and gas phase) and Raman (solid) spectroscopies. Their single-crystal structures were obtained by X-ray diffraction and found to be significantly distorted from the predicted ideal C-3 symmetry because of intermolecular interactions. The spectroscopic and structural properties are discussed in combination with density functional theory calculations.
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