【摘 要】
：
Important progress has been made in the development of energetic molecules with high performance by computer-aided molecular design in recent years,but structural novelty of organic scaffolds is insufficient.In this work,we propose an intra-ring bridging
【机 构】
：
State Key Laboratory of Fluorine & Nitrogen Chemicals,Xi’an Modern Chemistry Research Institute,Xi’a
论文部分内容阅读
Important progress has been made in the development of energetic molecules with high performance by computer-aided molecular design in recent years,but structural novelty of organic scaffolds is insufficient.In this work,we propose an intra-ring bridging strate-gy inspired by the known energetic nitramines to design novel polycyclic and cage energetic molecules.More than 100 energetic structures were designed by introducing the C-C bridges and increasing the ring size.The synthesis difficulty is considered besides the two most concerned properties of EMs,energy and safety.After a comprehensive estimation,a symmetric cage molecule labeled as 8U-30 was finally selected because of its relatively high detonation performance,and comparable impact sensitivity as well as synthetic accessibility with CL-20.Hopefully,the proposed strategy could be utilized in further molecular design to gain various scaf-folds,especially cage structures,for different demands.
其他文献
A new Rh(Ⅲ)-catalyzed direct C-H alkenylation of 2,3-unsubstitued indoles with alkenyl borates through C-H activation followed by transmetallation was described.This protocol provides an efficient method for the synthesis of terminal C2-alkenylindoles und
Four new N-methoxyindolediketopiperazines (acrozines D-G,1-4) and six known congeners (5-10) were purified from the organic extract of Acrostalagmus luteoalbus TK-43,which was a marine algal-derived fungus obtained from Codium fragile.Their structures wer
Fluorescent intelligent materials have attracted wide attention because of their great potential applications.One major hurdle for the development and application of fluorescent intelligent materials is the aggregation-caused quenching effect in the solid
A catalyst PdxCuv/NC in which Pd-Cu alloy nanoparticles are superficially embeded in shell of surface-porousN-doped carbon nano-sphere was successfully devised for p-chloronitrobenzene (p-CNB) selective hydrogenation.Bimetal ions were loaded inshell of a
Steric bulk plays a significantly paramount role in late transition metal promoted olefin (co)polymerization in terms of polymer mo-lecular weight and catalyst thermal stability.Numerous sterically encumbered nickel and palladium catalysts have been devel
We report the design,synthesis,structure,and properties of two complex layered phosphide nitrides,AkTh2Mn4P4N2 (Ak =Rb,Cs),which contain anti-fluorite-type[Mn2P2]bilayers separated by fluorite-type[Th2N2]layers as a result of the intergrowth between AkMn2
Block copolymers not only combine properties of different segments but also generate new application prospects.Poly(α-amino ac-id)-b-poly(tetrahydrofuran)-b-poly(α-amino acid) (PAA-PTHF-PAA) is one of the copolymers.In this contribution,di-hydroxyl-ended
Nanoporous (NP) Ge/Ag composite is controllably fabricated via one simple dealloying method under mild conditions.After corroding the well-designed Ge9Ag1Al90 source alloy,the resulting Ge/Ag consists of the three dimensional (3D) interconnected Ge networ
Herein,we report a rational construction of Au@Ag/C@SiO2 system with Au@Ag core-shell nanoparticles (NPs) as a promising pho-tocatalyst based on the plasmonic coupling effect for the first time towards the photoreduction of nitroaromatic compounds under v
Detection of hydrazine originated from electrochemical media has recently gained considerable attention in the sensing field.Herein,to improve electron transfer capacity,a polyoxometalate metal-organic framework (POMOF,NENU-3) is in-situ nucleated onto th