Dense Iodine-Rich Compounds with Low Detonation Pressures as Biocidal Agents

作者：He Chunlin; Zhang Jiaheng; Shreeve Jean' ne M^*

来源：Chemistry - A European Journal, 2013, 19(23): 7503-7509.

DOI：10.1002/chem.201300565

• agent defeat weapons
• density functional calculations
• explosives
• iodine
• oxone

Fifteen iodo compounds and six iodyl compounds with an iodine content between 45.3 and 89.0% were prepared. The mono, di, and triiodyl compounds were obtained from the corresponding iodo compound by employing Oxone. All the compounds were characterized by IR, 1H and 13CNMR, elemental analysis, and differential scanning calorimetry (DSC). The impact sensitivity was measured by using BAM (Bundesamt fur Materialforschung) methodology. Based on the calculated heats of formation and experimental densities, the detonation properties and detonation products were predicted by employing Cheetah6.0. A total percentage of iodine-containing species in wt% (I2, HI, and I in gas phase) ranged from 46.7 (21) to 88.94% (11) was found in the detonation products. The high concentration and easy accessibility of iodine and/or iodine-containing species is very important in developing materials suitable as Agent Defeat Weapons (ADWs).

• 出版日期2013-6