Correlation studies of anodic peak potentials and ionization potentials for polycyclic aromatic hydrocarbons.
Correlation studies of anodic peak potentials and ionization potentials for polycyclic aromatic hydrocarbons.
复制标题
多环芳烃阳极峰电位与电离电位的相关性研究。
DOI：
10.1021/tx00027a005
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发表时间：
1992
影响因子：
4.1
通讯作者：
Cavalieri,E
中科院分区：
文献类型：
--
作者：
Cremonesi,P;Rogan,E;Cavalieri,E
在电子密度可观的位置上被甲基取代的多环芳烃最好用另一条线表示，对应于等式IP= 1.65£ap+ 5.27。计算出的IP值也与其他由不同实验技术确定的表值进行了比较，我们的IP值集被证明产生了最令人满意的相关性。对于一些多环芳烃，在可逆伏安条件下的进一步研究允许确定两个额外的参数：形式氧化电位（£）和参与氧化还原过程的电子数(n)。IP是预测致癌性多环芳烃代谢激活的重要参数。
It was also found that PAH substituted with a methyl group on a position of appreciable electron density are best represented by a different line, corresponding to the equation IP= 1.65£ ap+ 5.27. The calculated IP were also comparedto other tabulated values, determined bydifferent experimental techniques, and our set of IP values proved to yield the most satisfactory correlation. For some PAH, further studies under reversible voltammetric conditions allowed determination of two additional parameters: formal oxidation potentials (£) and the numberof electrons (n) involvedin the redox process. IP is an important parameter in predictingthe metabolic activation of carcinogenic PAH.