65109-45-7Relevant academic research and scientific papers
Flexibility in metal-organic frameworks derived from positional and electronic effects of functional groups
Ha, Hyeonbin,Hahm, Hyungwoo,Jwa, Dong Gyun,Yoo, Kwangho,Park, Myung Hwan,Yoon, Minyoung,Kim, Youngjo,Kim, Min
, p. 5361 - 5368 (2017/09/26)
The position of identical functional groups and the subsequent electron density of structural benzene rings in a zinc-based metal-organic framework (MOF) have been controlled to reveal flexibility (or breathing behavior) differences. Both ortho- and para-positioned bi-functional benzene-1,4-dicarboxylic acid (BDC) ligands were synthesized with amino-, chloro-, methoxy-, and nitro groups. Additionally, two tri-functionalized, dimethoxy-amino and dimethoxy-nitro BDCs were prepared. All bi- and tri-functionalized BDCs were successfully incorporated into DABCO MOFs (DMOFs), except two diamino BDCs which were insoluble and thermally unstable. Among the eight bi-/tri-functionalized DMOFs, only para-dimethoxy exhibited flexibility in its framework after evacuation in preparation for N2 isotherm measurement. Since the dimethoxy combination has the most electron-rich environment in the benzene ring of the BDC in this series, this indicates that electron density plays a role in the flexibility changes of identically bi-functionalized DMOFs. However, the electron density alone could not fully explain the flexibility changes suggesting that the position of the functional groups is also important. These findings have been corroborated through the synthesis of two tri-functionalized DMOFs with identical functional group locations but opposite electronic environments.
Studies on the synthesis and properties of polynitro compounds based on esteryl backbones
Xu, Zhen,Yang, Hongwei,Cheng, Guangbin
, p. 9936 - 9944 (2016/12/07)
Four esteryl-bridged energetic compounds have been derived from 2,2,2-trinitroethanol with polynitro benzoic acids and characterized via IR, multinuclear NMR spectroscopy, elemental analysis and differential scanning calorimetry (DSC). The structures of 2,2,2-trinitroethyl-2,4,6-trinitrobenzoate (5), bis(2,2,2-trinitroethyl)-4,6-dinitroisophthalate (6), bis(2,2,2-trinitroethyl)-2,5-dinitroterephthalate (7) and bis(2,2,2-trinitroethyl)-2,4,6-trinitroisophthalate (8) were further confirmed by X-ray diffraction studies, which show favorable densities (1.804-1.850 g cm-3). Interestingly, most of the polynitro esters decompose at temperatures over 180 °C (except for 6: 171.6 °C), which thus exhibit good thermal stability. In addition, performance calculations give detonation pressures and velocities for the ester derivatives in the range of 30.4-32.9 GPa and 8267-8559 m s-1, respectively. The esteryl-bridged compounds possess acceptable impact sensitivities (14-22 J), friction sensitivities (240-360 N), and electrostatic sensitivities (0.20-0.32 J). These values indicate that polynitro esters can be candidates as promising energetic materials.
Towards the development of non-enediyne approaches for mimicking enediyne chemistry: Design, synthesis and activity of a 1,4-bisdiazonium compound
Arya, Dev P.,Jebaratnam, David J.
, p. 4369 - 4372 (2007/10/02)
1,4-bisdiazonium compounds, whichmay be precursors of aryl 1,4-diradicals, have the potential to mimic the DNA cleaving activity of the enediyne antibiotics. To this end, the ability to generate and activate 1,4-bisdiazonium compounds in good yield (e.g.,
