Theoretical study of the Meisenheimer and charge-transfer complexes formed upon colorimetric determination of nitroaromatic explosives
In this paper, we present a theoretical study of structure and UV-vis spectra of 11 colored complexes of nucleophiles with nitroaromatic energetic materials. Two different schemes were found to be the most suitable for absorption spectra simulation. In the case of covalently bound Meisenheimer compl...
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| Format: | Article |
| Language: | English |
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KeAi Communications Co. Ltd.
2023-06-01
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| Series: | FirePhysChem |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2667134422000487 |