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标题: 一篇文章中关于IP和EA的错误 [打印本页]

作者
Author:
七尺贱    时间: 2022-10-13 17:41
标题: 一篇文章中关于IP和EA的错误
本帖最后由 七尺贱 于 2022-10-13 17:44 编辑

看到一篇文章中关于IP和EA的表述我感觉是错的,作者说“It is found that either the vertical ionization energy or adiabatic ionization energy of free corannulene is larger than those of free C70, indicating that either the electron-denoting or electron-accepting of C70 is stronger than corannulene in their isolated state.”首先,electron-accepting是和EA的值挂钩吧,但是这里却说“vertical ionization energy or adiabatic ionization energy of free corannulene is larger ”;其次,这里改为电子亲和能EA表述也有问题吧:对于corannulene来说,不论是绝热还是垂直IP和EA均大于C70,这意味着C70更容易给出电子,也就是electron-denoting of C70 is stronger than corannulene,但是二者的EA都是负的,很显然都不能结合电子。其次EA若均为正,但是EA越大,不说明越容易得到电子吗,也就是electron-accepting of C70 is lower than corannulene,但作者却说electron-accepting of C70 is stronger than corannulene 。文章为:RSC Adv., 2017, 7, 27960–27968
作者
Author:
chemhou    时间: 2022-10-13 20:31
EA部分是错的
https://webbook.nist.gov/cgi/formula?ID=C135105587&Mask=20
作者
Author:
七尺贱    时间: 2022-10-14 15:14
chemhou 发表于 2022-10-13 20:31
EA部分是错的
https://webbook.nist.gov/cgi/formula?ID=C135105587&Mask=20

确实,实验正的,这算出负的定性错误了




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