Klapötke Thomas M, Krumm Burkhard, Unger Cornelia C
Energetic Materials Research, Department of Chemistry , Ludwig-Maximilian University Munich , Butenandtstr. 5-13 (D) , 81377 Munich , Germany.
Inorg Chem. 2019 Feb 18;58(4):2881-2887. doi: 10.1021/acs.inorgchem.8b03540. Epub 2019 Jan 31.
The tetravalent pentaerythritol tetranitrocarbamate (PETNC) is deprotonated by nitrogen-rich, alkaline, alkaline earth metal, and silver bases to form the corresponding salts. Thorough analysis and characterization by multinuclear NMR, vibrational spectroscopy, elemental analysis, thermoanalytical techniques, and single crystal X-ray diffraction was performed. Furthermore, the energies of formation for the nitrogen-rich salts were calculated utilizing the Gaussian program package. The detonation performances were calculated with the Explo5 (V6.03) computer code, and the sensitivities toward impact and friction were determined and compared to the neutral PETNC and pentaerythritol tetranitrate (PETN). Ecotoxicological studies of the ammonium and guanidinium salt using Vibrio fischeri bacteria complete this study.
四价季戊四醇四硝基氨基甲酸盐（PETNC）被富氮、碱性、碱土金属和银碱去质子化，形成相应的盐。通过多核核磁共振、振动光谱、元素分析、热分析技术和单晶X射线衍射进行了全面的分析和表征。此外，利用高斯程序包计算了富氮盐的生成能。用Explo5（V6.03）计算机代码计算爆轰性能，并测定对冲击和摩擦的敏感度，与中性PETNC和季戊四醇四硝酸酯（PETN）进行比较。使用费氏弧菌对铵盐和胍盐进行生态毒理学研究，完成了本研究。
