Nitrotoluene experimental results

The vapor phase studies also showed that the size of the pores has an important effect on the regioselectivity of the reaction. Fig. 2 illustrates the effect of pore size on product selectivity. The highest selectivity for para-nitrotoluene was observed over H-ZSM5 followed by Mordenite, L, and MCM. The kinetic diameters of the o-, m-, and p- isomers are 6.7, 6.7, and 5.25 A respectively. Experimental results shown in Fig. 2 verify that catalysts with channel diameters of less than 7 A preferentially form the para isomer. Based on these geometric arguments alone, the small amount of ortho isomer observed with the H-ZSM5 catalyst could be generated on acid sites located on the outer surface (2). 

Detection and identification of chemical warfare simulants based on multidimensional phase shaped femtosecond laser pulses coupled to mass spectrometry (MS) is demonstrated. The presented approach is based on binary phase shaping (BPS) and aims to improve the accuracy and precision required for security applications. It is based on multiphoton intrapulse interference of femtosecond laser pulses. Spectra retrieved by applying n-differently shaped pulses represent n-dimensions of the analysis. We present a multidimensional technique for detection and identification of analogues to chemical agents and mixtures in real-time. Experimental results for dimethyl phosphate, pyridine, and three isomers of nitrotoluene are presented. 

It is pertinent, perhaps, that the data for nitration under other conditions are also at variance with the expectations of the relationship. Small deviations from the value for the log p ejlog mfe ratio, 3.98 + 0.53, are encountered for many reactions. However, the ratio of these logarithms for nitration in nitromethane at 25° is 14.5 and for nitration in acetic anhydride at 0° is 15.6. This large increase in the ratio is the consequence of lower values for % m-nitrotoluene (Knowles etal., 1960 Stock, 1961). Unfortunately, the experimental uncertainties are not reduced to a sufficiently low level to permit a confident discussion of the results. Since S is directly dependent on the para/meta ratio these uncertainties are also found in the value of the Selectivity Factor. 

For liquid benzyldifluoramine and a-nitrotoluene, the corresponding value (from solely experimental measurements) of 835 is -14.6 3.7 kJ mol". We close the comparison with a discussion of the thermochemistry of )V,yV,, lV -tetrafluoro-1,1-heptanediamine. The enthalpy of formation of 1,1-dinitroheptane is seemingly absent but we know the value for 1,1-dinitropentane, -216.9 1.3 kJ mol". To correct for the two liquid-phase CH2 groups is easy prior experience (e.g. ref. 34) shows that each contributes ca. -25 kJ mol" resulting in a value of ca. -267 kJ mol". Alternatively, we can use our earlier derived equation [7],... 

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