Aromaticity and relative stabilities of azines.
نویسندگان
چکیده
The most refined nucleus-independent chemical shift index (NICS(0)(πzz)) and the extra cyclic resonance energies (ECREs), based on the block localized wave function (BLW) method, show that the aromaticity of all azines is like that of benzene. The same is true for aza-naphthalenes relative to naphthalene. The lower relative energies of isomers with vicinal N's are due to the weakness of NN bonds rather than to reduced aromaticity.
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ورودعنوان ژورنال:
- Organic letters
دوره 12 21 شماره
صفحات -
تاریخ انتشار 2010