title: N-Nitrosarcosine: An Economic Precursor for the Synthesis of New Energetic Materials.
abstract: New energetic compounds have been synthesized starting from the readily available N-(cyanomethyl)-N-methylamine. From this, N-nitrosarcosine was prepared in few steps, which serves as a starting material for the synthesis of oxygen-rich compounds. The compounds were thoroughly characterized including multinuclear NMR and vibrational spectroscopy and also molecular structures by single X-ray diffraction were obtained. Their energetic properties were determined including the sensitivities towards impact and friction, their heat of formations were calculated and the detonation and combustion parameters were predicted using EXPLO5 V6.02.
authors.affiliation: Department of Chemistry, Ludwig-Maximilians-Universität München, Butenandtstraße 5-13 (D), 81377, Munich, Germany.
authors.forename: Thomas M
authors.initials: TM
authors.lastname: Klapötke
authors.affiliation: Department of Chemistry, Ludwig-Maximilians-Universität München, Butenandtstraße 5-13 (D), 81377, Munich, Germany.
authors.forename: Burkhard
authors.identifier: http://orcid.org/0000-0002-2100-4540
authors.initials: B
authors.lastname: Krumm
authors.affiliation: Department of Chemistry, Ludwig-Maximilians-Universität München, Butenandtstraße 5-13 (D), 81377, Munich, Germany.
authors.forename: Regina
authors.initials: R
authors.lastname: Scharf
mesh_terms: D002152:Calorimetry, Differential Scanning; D018360:Crystallography, X-Ray; D009682:Magnetic Resonance Spectroscopy; D008744:Methylamines / Q000737:chemistry*; D008968:Molecular Conformation; D011789:Quantum Theory; D012521:Sarcosine / Q000138:chemical synthesis / Q000737:chemistry*; D013696:Temperature
chemical_list: D008744:Methylamines; C027451:methylamine; D012521:Sarcosine
keywords: ab initio calculations; energetic materials; green chemistry; oxygen; synthesis