التفاصيل البيبلوغرافية
| العنوان: |
UV-VUV absorption spectra of azido-based energetic plasticizer bis(1,3-diazido prop-2-yl)malonate in gas phase. |
| المؤلفون: |
Bhattacharya, Atanu, Singh, Param Jeet, Das, Suman |
| المصدر: |
Journal of Chemical Physics; 1/7/2024, Vol. 160 Issue 1, p1-8, 8p |
| مصطلحات موضوعية: |
ELECTRONIC spectra, TIME-dependent density functional theory, SYNCHROTRON radiation sources, ULTRAVIOLET spectra, ABSORPTION spectra, FAR ultraviolet radiation, PLASTICIZERS, ELECTRONIC excitation |
| مستخلص: |
Ultraviolet and vacuum ultraviolet photo-absorption spectra of azido (–N3)-based energetic plasticizer, bis(1,3-diazido-prop-2-yl)-malonate (abbreviated as BDAzPM), in the gas phase is recorded at room temperature and in the photon energy range of 5.5–9.9 eV using a synchrotron radiation source. Complementary computational results obtained using the time-dependent density functional theory document the vertical transition energies and oscillator strengths. Comparison of the simulated spectra with the experimental absorption spectrum of BDAzPM reveals that the early part of the absorption spectrum of BDAzPM is of pure valence excitation character, whereas the later intense part of the absorption spectrum is dominated by mixed Rydberg and valence electronic excitations. [ABSTRACT FROM AUTHOR] |
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| قاعدة البيانات: |
Complementary Index |
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