title: A Highly Energetic N-Rich Metal-Organic Framework as a New High-Energy-Density Material.
abstract: Metal-organic framework (MOF)-based energetic material [Cu3 (MA)2 (N3 )3 ] (1; MA=melamine) was synthesized and structurally characterized (47.55 % N). The structural analysis revealed the existence of unusual multiwalled tubular channels and interweaving of single and double helical units in 1. The standard molar enthalpy of formation was found to be 1788.73 kJ mol(-1) , which is the highest value among previously reported MOF-based energetic materials. The calculated detonation properties showed that 1 can be used as a potential explosive. Sensitivity tests revealed that 1 is insensitive and thus can function as a high-energy-density material with a favorable level of safety.
authors.affiliation: State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, The Chinese Academy of Sciences Fuzhou, Fujian, 350002, P. R. China.|World Premier International (WPI) Research Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki, 305-0044, Japan.
authors.forename: Huabin
authors.initials: H
authors.lastname: Zhang
authors.affiliation: State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, The Chinese Academy of Sciences Fuzhou, Fujian, 350002, P. R. China.
authors.forename: Mingjian
authors.initials: M
authors.lastname: Zhang
authors.affiliation: State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, The Chinese Academy of Sciences Fuzhou, Fujian, 350002, P. R. China.
authors.forename: Ping
authors.initials: P
authors.lastname: Lin
authors.affiliation: World Premier International (WPI) Research Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki, 305-0044, Japan.
authors.forename: Victor
authors.initials: V
authors.lastname: Malgras
authors.affiliation: World Premier International (WPI) Research Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki, 305-0044, Japan.|Faculty of Science and Engineering, Waseda University, 3-, 4-1 Okubo, Shinjuku, Tokyo, 169-0072, Japan.
authors.forename: Jing
authors.initials: J
authors.lastname: Tang
authors.affiliation: Department of Chemistry, College of Science, King Saud University, Riyadh, 11451, Saudi Arabia.
authors.forename: Saad M
authors.initials: SM
authors.lastname: Alshehri
authors.affiliation: State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, The Chinese Academy of Sciences Fuzhou, Fujian, 350002, P. R. China. yamauchi.yusuke@nims.go.jp.|Faculty of Science and Engineering, Waseda University, 3-, 4-1 Okubo, Shinjuku, Tokyo, 169-0072, Japan. yamauchi.yusuke@nims.go.jp.|Department of Chemistry, College of Science, King Saud University, Riyadh, 11451, Saudi Arabia. yamauchi.yusuke@nims.go.jp.
authors.forename: Yusuke
authors.initials: Y
authors.lastname: Yamauchi
authors.affiliation: State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, The Chinese Academy of Sciences Fuzhou, Fujian, 350002, P. R. China. swdu@fjirsm.ac.cn.
authors.forename: Shaowu
authors.initials: S
authors.lastname: Du
authors.affiliation: State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, The Chinese Academy of Sciences Fuzhou, Fujian, 350002, P. R. China. zhj@fjirsm.ac.cn.
authors.forename: Jian
authors.initials: J
authors.lastname: Zhang
keywords: N ligands; helical structures; high-energy materials; hydrothermal synthesis; metal-organic frameworks