Trinitrotoluene , molecular

Electron-transfer-induced FQ is the most practical and efficient mechanism of signal transduction for the detection of explosives. This is because explosives, especially 2,4,6-trinitrotoluene (TNT), are often highly electron-deficient molecules that readily accept electrons from excited fluorophores. In addition, explosive devices that contain TNT also usually contain a synthetic by-product, 2,4-dinitrotoluene (DNT), which is also highly electron deficient. A basic frontier molecular orbital-based mechanism for electron transfer FQ is illustrated in Figure 3. 

If one gram of soil contains a single molecule of the subject chemical of molecular mass m0 (Table 1.5), then the mass/mass concentration is numerically equal to mo. For example, using TNT (trinitrotoluene) at molecular weight (MW) of 227,... 

The element carbon (symbol C) is almost always found in nature covalently bonded to other carbon atoms or to a variety of other elements (most commonly H, O, and N). Due to the presence of carbon-containing compounds in all living things, the chemistry of carbon compounds is known as organic chemistry. Most high explosives are organic compounds. TNT (trinitrotoluene), for example, consists of C, H, N, and O atoms, with a molecular formula of C yH 5N P e. We will encounter other organic compounds in our study of fuels and binders in pyrotechnic mixtures. 

The variety of ways in which chloral and trinitrotoluene (TNT) derivatives can be used to prepare novel polyimides and polymeric materials is very promising. The use of chloral and TNT derivatives allows for the synthesis of a large number of monomers which, in turn, can impart a variety of useful properties to their respective polymers. The possibility of preparing, from available raw materials, high-molecular-weight compounds with increased heat and thermal resistance in combination with improved solubility and, consequently, easiness of processing is especially attractive and may provide impetus for further work in this field. 

It also forms molecular addition compounds with a-trinitrotoluene and 2,4,6-tri-nitroanisole (T. Urbadski [6, 7]). 

Fig. 18. Overlay of plots from DMS-IMS2 response to several nitrotoluenes [2-mononitrotoluene (2-MNT), 3-MNT, 2,4-dinitrotoluene (2,4-DNT), 3,4-DNT, 2,4,6-trinitrotoluene (TNT)] in positive polarity (left). A reactant ion peak (RIP) is seen at 6.5 V and 1.9 ms, whereas protonated monomers are seen near 3 V and 2.2ms, and proton-bound dimers are at 0V and 3.5ms. TNT does not show a response in positive polarity. Overlay of plots from DMS-IMS2 response to several nitrotoluenes (cf. list in positive polarity) in negative polarity (right). A RIN is seen at 7 V and 1.8 ms, whereas molecular adducts or charge-exchanged ions are seen at 0.5 V and 2.5 ms. MNTs do not show a response in negative polarity. Source Neil D. Paz, NMSU...

Tertiary nitro compounds, of course, do not undergo tautomeric transformation, and they might be expected to be resistant to alkalis. Nevertheless aromatic nitro compounds, and polynitro-ones in particular, are very sensitive to alkalis, and undergo transformation when treated with them. For example, sym-trinitrobcnzcnc and also a- trinitrotoluene, when reacted with potassium hydroxide in methyl alcohol solution, form dark addition products (see also p. 202). Under certain conditions the nitro group can break off to form high molecular compounds. 

The p- and y- isomers of trinitrotoluene also form molecular compounds (1 1) with naphthalene, acenaphthene, fluorene, phenanthrene and anthracene (Jefremov and Bogush [107] Jefremov and Frolova [107a]). 

Hydrocarbon or amine, etc. Molecular proportion a- trinitrotoluene/second component Melting point °C Form... 

Fig. 1.3 Molecular structures of picric acid (PA), tetryl, trinitrotoluene (TNT), Nitroguanidine (NQ), pentaerythritol tetranitrate (PETN), hexogen (RDX), octogen (HMX), hexanitrostilbene (HNS) and triaminotrinitrobenzene (TATB).

Acid/base chemistry is also an obvious reaction path for selective detection of a variety of materials. For example, acid/base reaction can be made to occur within a molecularly imprinted pocket to assist in differentiating the molecule of choice before deprotonating it to produce an ion pair that then interacts with the evanescent field. This approach is currently being used to selectively detect TNT to levels in the low parts-per-trillion. 2,4,6-trinitrotoluene, a potent explosive, is also a weak acid having a p/sTa of approximately 14.5 [38]. A TNT derivative is synthesized with a tether to a silane. The silane is chosen so the group can be... 

Carper, W. R., Davis, L. P. and Extine, M. W. (1982). Molecular structure of 2,4,6-trinitrotoluene. Journal of Physical Chemistry, 86,459-62. [288, 289t] Carstensen, J. T. (1977). Pharmaceutics of solids and solid dosage forms. John Wiley Sons New York. [243]... 

Gallagher, H. G., Roberts, K. J., Sherwood, J. N. and Smith, L. A. (1997). A theoretical examination of the molecular packing, intermolecular bonding and crystal morphology of 2,4,6-trinitrotoluene in relation to polymorphic structural stability. 

Molecular model of picric acid. Picric acid (2,4,6-trinitrophenol) is a close relative of trinitrotoluene (TNT). It is an explosive compound and has military applications. Picric acid has also been used as a yellow dye and staining agent and as an antiseptic. 

Gong P et al., Toxicogenomic analysis provides new insights into molecular mechanisms of the sublethal toxicity of 2,4,6-trinitrotoluene in Eisenia fetida, Environ, Sci. Technol., 41, 8195, 2007. 

Forms molecular addn products with nitro compounds. Picric acid complex, mp 139 sym.trinitrobenzene complex, mp 164" trinitrotoluene complex, mp 162". 

Building onto the concept of molecularly wired sensors for signal amplification, Swager reported in 1998 the synthesis of a series of porous PPE derivatives in which pentiptycene modules are incorporated into the PPE main chain. The incorporation of the pentypticene moieties makes 29 and 30a (Chart 5) efficient solid-state emitters unaffected by aggregation i.e., their emission spectra in solution and in the solid state are almost identical. The authors found that thin films of these highly fluorescent PPEs are excellent sensors for the detection of trinitrotoluene and dinitrotoluene. Both aromatics suppress the fluorescence of 29 or 30a effectively but reversibly. The headspace, i.e., the atmospheric volume above land mines, contains measurable quantities of dinitrotoluene. As a consequence, polymers 29 and 30 coated on top of a fiber optic sensor will allow their simple detection by these very sensitive molecular wire-type materials. This elegant concept should be extendable and applicable to any other analyte, (a) which has the ability to quench fluorescence and (b) for which a receptor can be attached to PPEs. 

In 1921 Heilbron and Buck reported that DHDK (5) forms rather stable molecular complexes with 15 different guests whose chemical identities ranged from chloroform through phenanthrene (an electron donor) to 2,4,6-trinitrotoluene (TNT, an electron acceptor) (Table 7). The colours were reported to range from yellow to black, suggesting a variety of types of interaction between the components. Further-... 

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