1,1-Diamino-2,2-dintroethene (FOX-7) in copper and nickel diamine complexes and copper FOX-7.

نویسندگان

  • Thao T Vo
  • Damon A Parrish
  • Jean'ne M Shreeve
چکیده

1,1-Diamino-2,2-dinitroethene (FOX-7) reacts readily with copper nitrate in an aqueous solution of potassium hydroxide to form pea green Cu(FOX)(2)(H(2)O)(2) (5). FOX-7 complexes of copper and nickel supported by a variety of diamines including Cu(en)(2)(FOX)(2)(H(2)O) (1), Cu(pn)(2)(FOX)(2) (2), Cu(bipy)(FOX)(2)(H(2)O)(4) (3a), Cu(bipy)(2)(FOX)(2)(H(2)O)(2.5) (3b), Cu(bipy)(FOX)(2)(DMSO)(2)·2DMSO (3c), Cu(phen)(3)(FOX)(2)(H(2)O)(3) (4), (Ni)(2)(phen)(6)(FOX)(4)(NO(3))(3)(H(2)O)(2) (6), and Ni(bipy)(3)(FOX)(2)(H(2)O)(4) (7a) were obtained via metathesis reactions with potassium-FOX (K-FOX). Surprisingly FOX-7, in the presence of Ni(II) and bipyridyl in a mixed solvent of methanol and dimethyl sulfoxide, gave a chelated FOX carbamate anion resulting in the compound Ni(bipy)(2)(FOX-CO(2))·(DMSO) (7b). All metal salts were characterized by infrared, elemental analysis, and differential scanning calorimetry (DSC). Single-crystal X-ray diffraction structures were obtained for compounds 1, 2, 3c, 6, and 7b.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

The Structure and Chemical Bond of FOX-7: The AIM Analysis and Vibrational Normal Modes

FOX-7 (1,1-diamino-2,2-dinitroethylene) recently is expected as a relatively new energetic material with high-performance and low sensitivity. The RHF and MP2 levels and DFT method with B3LYP functional with aug-cc-pVDZ basis set have been used for obtaining equilibrium geometry and Rho function (electron density distribution). By the aid of fundamental physical theorems implemented in the ...

متن کامل

Initial decomposition mechanism for the energy release from electronically excited energetic materials: FOX-7 (1,1-diamino-2,2-dinitroethene, C2H4N4O4).

Decomposition of the energetic material FOX-7 (1,1-diamino-2,2-dinitroethylene, C2H4N4O4) is investigated both theoretically and experimentally. The NO molecule is observed as an initial decomposition product subsequent to electronic excitation. The observed NO product is rotationally cold (<35 K) and vibrationally hot (2800 K). The initial decomposition mechanism is explored at the complete ac...

متن کامل

Molecular Electronic Topology and Fragmentation Onset via Charge Partition Methods and Nuclear Fukui Functions

We investigated theoretically the ground state electronic structure and the onset of molecular fragmentation of 1,1-diamino-2,2-dinitroethylene (FOX-7) using density functional theory. The molecular charge density was analyzed via two partition methods: the distributed multipole analysis (DMA) and the deformed atoms in molecules (DAM). In this framework, the push-pull effect, hydrogen intra-mol...

متن کامل

Charge-density studies of energetic materials: CL-20 and FOX-7.

Experimental electron densities and derived properties have been determined for the two energetic materials CL-20 (3,5,9,11-tetraacetyl-14-oxo-1,3,5,7,9,11-hexaazapentacyclo-[5.5.3.02,6.04,10.08,12]pentadecane), and FOX-7 (1,1-diamino-2,2-dinitroethylene) from single-crystal diffraction. Synchrotron data extending to high scattering angles were measured at low temperature. Low figures-of-merit ...

متن کامل

Study of Nitro Factor Dislodgement in Fox-7

Since FOX-7 (1, 1-diamino-2, 2-dinitroethylene) is a relatively new energetic material, little is known about its physical and chemical properties. Therefore, first-principles quantum chemical calculations are used to predict the energies of atoms of FOX-7. Under gentle heating (thermolysis) is likely to cause hydrogen transfer between molecules, producing highly reactive chemical species. Conv...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:
  • Inorganic chemistry

دوره 51 3  شماره 

صفحات  -

تاریخ انتشار 2012