Skeletal Rearrangements in Reactions of Isodrin and Endrin

Theoretical Studies on the Infrared Vibrational Spectra, Thermodynamic Properties and Nuclear Magnetic Resonance Spectra for Polynitro‐1,3‐bishomopentaprismanes

“…Their central position moves towards higher frequencies as n increases. For instance, the most intense signal in this region for 1 . As for BPP, since it has no nitro group, there is no characteristic signal in these two regions.…”

“…[1][2][3] Polynitro-1,3-bishomopentaprismanes (PNBPPs), which are formed by substituting part of the H atoms in BPP with nitro groups (see Figure 1b for the structure), have received considerable attention for their potentials as high energy density compounds (HEDC). 4,5 Our theoretical studies 6 have proved that PNBPP compounds have excellent explosive performances, and some of them meet the criteria of HEDC.…”

Synthesis of Bridged Bicyclic Molecules using Halocarbenes. Derivatives of bicyclo[4.2.1]nonane

“…The reduction of isodrin to the pre-birdcage hydrocarbon constitutes a good illustration (18 --f 19) [22]. In the same way, sodium in liquid ammonia behaves impeccably towards the dichloro and tetrachloro bicyclo[4.2.l]non-3-enes (10 and 14) in giving the expected parent hydrocarbon (20) in 68 and 31% yields respectively.…”

Theoretical studies on polynitro-1,3-bishomopentaprismanes as potential high energy density compounds

“…First, it can be seen from Table 6 that, except 1,2,3,4,5, 6,7,8,9,10,11,11,12,12-PNBPP, all the investigated PNBPPs have BDE C-NO 2 and BDE C-C larger than 140 kJ mol −1 , in which most of them are larger than 200 kJ mol −1 . These values satisfy the stability criteria of HEDC, indicating that all the title PNBPPs have good thermal stabilities except 1,2,3,4,5, 6,7,8,9,10,11,11,12, In conjunction with the energetic properties discussed above, the studied PNBPPs with n = 8-12 meet the demand of HEDC and are the candidates of HEDC. They are 1,2,3,4,7,8,9,10-, 2,3,5,6,8,9,11 23 ,12 26 -, 1,2,3,4,7,8,9,10,11 23 ,12 26 -, 1,2,3,5,6,8,9,10,11 23 ,12 26 -, 2,3,5,6,8,9,11,11,12,12-, and 1,2,3,4,5, 6,7,8,9,10,11 23 ,12 25 -PNBPPs.…”

“…1 for the structure), is a typical cage compound with good symmetry (C 2v ) and stability [8][9][10]. Ever since its first synthesis in 1960 [8], various kinds of its derivatives have been synthesized and investigated in the following decades [11][12][13][14][15][16][17]. Polynitro-1,3-bishomopentaprismanes (PNBPPs), which are formed when parts * Corresponding author.…”