International Scholarly Research Notices / 2013 / Article / Fig 5

Research Article

Acid-Free Nitration of Benzene and Toluene in Zeolite NaZSM-5

Figure 5

Schematic molecular orbital diagram for NO2, , and . The grayed electron represents the diminished electron density in the HOMO because of donation to the zeolite Na+ cation. The result is a shift of the vibrational frequency to higher wave number. As δ increases, so does the frequency. The extent of the donation depends on the local environment of the cation in the zeolite.

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