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Acta Chimica Sinica ›› 1979, Vol. 37 ›› Issue (3): 161-166. Previous Articles Next Articles
游效曾, 李重德, 包家伟
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YOU XIAO-ZENG, LI TSUNG-DE, BAO JIA-WEI
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Semiempirical CNDO/2 oaloulations have been oarried out for isomerio xylenes and their protonated-complexes.The results indicate that the stabilities of these compounds are of the following order: looalised σ-complex >localised π-complex >Isomeric aylenes >CH3 delocalised π-complex.Interpretations are given for the physical and ohemical properties of xylenes, such as isoinerio energy, ionization potential, acidity and basioity, proton affinity,eleotrophilic reaction, as well as the mechanism of isomerisation of m-xylene on acidic catalyst.
YOU XIAO-ZENG, LI TSUNG-DE, BAO JIA-WEI. THE QUANTUM CHEMICAL CALCULATIONS OF ISOMERIC XYLENES AND THEIR PROTONATED-COMPLEXES[J]. Acta Chimica Sinica, 1979, 37(3): 161-166.
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