Enthalpy of formation of fluoronitromethyl radical and dissociation energy of C-H and C-F bonds in fluorodinitromethane

Pepekin, V. I.; Natsibullin, F. Ya.; Erëmenko, L. T.; Lebedev, Yu. A.

doi:10.1007/bf00923533

Cited by 2 publications

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“…An effective way of transforming electronic structures of graphene from sp 2 hybridization to sp 3 hybridization by UV‐light‐induced oxidation was also reported by G

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nes et al . It is known that formation energy of carbon with hydrogen is much lower than that that for fluorine . Thus, for an unpoled PDVF surface, the GO and/or graphene would experience different field force due to the presence of hydrogen and fluorine competing with binding with GO and/or graphene symmetric chain.…”

Section: Resultsmentioning

confidence: 99%

Enhanced piezo‐electric property induced in graphene oxide/polyvinylidene fluoride composite flexible thin films

et al. 2017

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Graphene oxide/PVDF composite free‐standing flexible films were prepared with different amount of GO fillers in PVDF matrix using sol‐gel technique. The films were characterized by Field emission scanning electron microscopy, X‐ray diffraction, Fourier transform infrared spectroscopy (FTIR), X‐ray photoelectron spectroscopy (XPS) and Raman studies. Results FTIR, XPS, and Raman were critically analysed for modulation of bonding ambience. The GO/PVDF composite films indicated films to be sp2 rich. Departure from centro‐symmetry of GO when embedded in PVDF matrix leading towards efficient nanogenerator application is discussed critically in the light of Raman and XPS studies. High output voltage was recorded for the unpoled film while the poled samples indicated very negligible output. A rectifying circuit was used to charge a capacitor which was discharged for supplying energy to trigger a red light emitting diode. A maximum a.c. output voltage of ±28V was recorded at microwatt power level. Increments in output voltages with increased GO loading in the PVDF matrix were observed. POLYM. COMPOS., 39:4205–4216, 2018. © 2017 Society of Plastics Engineers

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“…An effective way of transforming electronic structures of graphene from sp 2 hybridization to sp 3 hybridization by UV‐light‐induced oxidation was also reported by G

\ddot{u}

Section: Resultsmentioning

confidence: 99%

Enhanced piezo‐electric property induced in graphene oxide/polyvinylidene fluoride composite flexible thin films

et al. 2017

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Polynitrobenzene Derivatives, Containing -CF3, -OCF3, and -O(CF2)nO- Functional Groups, as Candidates for Perspective Fluorinated High-Energy Materials: Theoretical Study

Tamuliene,

Sarlauskas

2024

Energies

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We performed a theoretical investigation of the fluorinated compounds’ morphology and stability. The research was conducted using the widely adopted DFT approach, specifically the B3LYP method and the cc-pVTZ basis set, aiming to design high-energy materials that exhibit low sensitivity, toxicity, instability, and reduced proneness to decomposition or degradation over a short period. In the paper, we presented the investigation results for the compounds whose total energy is the lowest. Their thermal and chemical stability was evaluated based on stability indicators such as cohesion, chemical hardness, and softness. The oxygen–fluorine balance is assessed to determine the sensitivity of these advanced materials. The density, detonation pressure, and velocity of the selected conformers were theoretically obtained to reveal the influence of -CF3, -OCF3, and cyclic -O(CF2)nO- fragments on the energetic properties of nitroaromatics as well as their stability and resistance to shock stimuli. The results enable the prediction of advanced energetic materials that achieve a favorable balance between power and stability. Based on the results achieved, we put forward CF3N2, OCF3N2, C2F6N2, 1CF2N2/O2CF2N2, and 2CF4N2/O2C2F4N2 for practical usage because these compounds possess greater stability compared to tetryl and better explosive properties than TNT.

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Enthalpy of formation of fluoronitromethyl radical and dissociation energy of C-H and C-F bonds in fluorodinitromethane

Cited by 2 publications

References 1 publication

Enhanced piezo‐electric property induced in graphene oxide/polyvinylidene fluoride composite flexible thin films

Enhanced piezo‐electric property induced in graphene oxide/polyvinylidene fluoride composite flexible thin films

Polynitrobenzene Derivatives, Containing -CF3, -OCF3, and -O(CF2)nO- Functional Groups, as Candidates for Perspective Fluorinated High-Energy Materials: Theoretical Study

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