A novel empirical method for quickly estimating the charge-transfer state of fullerene-donor derivatives. Issue 44 (1st November 2019) - Liu, Xiaolong
Abstract : A new convenient equivalent conjugated electron number technique is put forward to predict the charge-transfer state in fullerene-donor derivatives. Abstract : Herein, a convenient equivalent conjugated electron number technique is put forward to set up a numerical relationship between the electron number and HOMO even before molecules are synthesized, especially used for quickly predicting the charge-transfer state of C60 -donor derivatives. It provides a method for designing fullerene conjugates with different excited-state properties.