Temat: H-bond - Katalog OPAC zbiorów

Skocz do pozycji: 1.

Tytuł:: UV-VIS and FTIR Investigations of Long-Term Aged Explosives. Part 1
Autorzy:: Shishkov, P.
Nedkova, M.
Atanasova, P.
Powiązania:: https://bibliotekanauki.pl/articles/358450.pdf
Data publikacji:: 2011
Wydawca:: Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:: UV-VIS
FTIR
TD-50
tetryl
H-bond
Opis:: An investigation of TD-50 and tetryl samples obtained by dismantling of weapons, made in 1961 in Bulgaria, was carried out. The weapons were stored in non-heated military stores and the explosives were aged in this time (50 years). The results from UV-VIS and FTIR spectroscopy showed the formation of H-bonds in the solutions and in the investigated materials. The most available properties for determination of H-bond formation from UV-VIS spectra were: the shift, (Δ λ); ratio shift/dilution, (Δ λ /C1/Cn, nm, and Δ λ/Δ C, nm.ml/mg) in acetone solutions and only the shift, (Δ λ) in toluene solutions. The results from FTIR spectroscopy showed that the most available for determination of H-bond formation were: absorbances of some maxima for -NO2 groups, divided from maxima for -CH2 at 917 and 715 cm-1 like internal standards and some values of Δh*1/2.
Źródło:: Central European Journal of Energetic Materials; 2011, 8, 4; 293-301
1733-7178
Pojawia się w:: Central European Journal of Energetic Materials
Dostawca treści:: Biblioteka Nauki

Artykuł

Skocz do pozycji: 2.

Tytuł:: UV-VIS and FTIR Investigations of Long-Term Aged Explosives. Part 2
Autorzy:: Shishkov, P.
Nedkova, M.
Atanasova, P.
Glavchev, I.
Powiązania:: https://bibliotekanauki.pl/articles/358669.pdf
Data publikacji:: 2011
Wydawca:: Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:: long-term ageing
TD-50
tetryl
UV-VIS
FTIR
H-bond
Opis:: Samples of long-term aged TD-50 and tetryl were investigated by UV-VIS and FTIR spectroscopy and bands of products of ageing were obtained. A complicated maximum of nitro groups at 1537 cm-1 in the FTIR spectra of long-term aged explosives was obtained, like in the IR spectra of long-term aged single-based propellants. Ageing process was confirmed by the presence of several maxima in UV-VIS and FTIR spectra of aged products and determination of several characteristics of the investigated explosives (shifts Δ ν, differences in absorbances ΔA, differences in values of Δh*1/2). Ageing was connected with decrease of H-bond formation on the base of decrease of content of oxygen and nitro groups in TD-50 and tetryl.
Źródło:: Central European Journal of Energetic Materials; 2011, 8, 4; 303-310
1733-7178
Pojawia się w:: Central European Journal of Energetic Materials
Dostawca treści:: Biblioteka Nauki

Artykuł

Skocz do pozycji: 3.

Tytuł:: Intermolecular Interactions between TNAZ and H2O: a DFT Study
Autorzy:: Oftadeh, M.
Selahvarzi, S.
Keshavarz, M. H.
Powiązania:: https://bibliotekanauki.pl/articles/358486.pdf
Data publikacji:: 2013
Wydawca:: Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:: 1,3,3-trinitroazetidine (TNAZ)/H2O complex
intermolecular interaction
DFT
natural bond orbital
thermodynamic properties
Opis:: All of the possible TNAZ/H2O complexes (1, 2 and 3), as well as the uncomplexed form, were fully optimized with the density functional method. Complex 3 was the most stable, with the largest corrected intermolecular interaction energy. Charge redistribution mainly occurs on the adjacent N–O...H atoms of the submolecules. Strong hydrogen bonds predominantly contribute to the interaction energies. It is energetically and thermodynamically unfavourable for TNAZ to bind with H2O and to form any stable complexes at room temperature.
Źródło:: Central European Journal of Energetic Materials; 2013, 10, 2; 289-300
1733-7178
Pojawia się w:: Central European Journal of Energetic Materials
Dostawca treści:: Biblioteka Nauki

Artykuł

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