A novel empirical method for quickly estimating the charge-transfer state of fullerene-donor derivatives. Issue 44 (1st November 2019)

• Record Type: Journal Article
• Authors: Liu, Xiaolong; Chai, Yongqiang; Wu, Bo; Liu, Liping; Wang, Chunru
• Is Part Of: Physical chemistry chemical physics. Volume 21:Issue 44(2019)
• Page Start: 24291
• Page End: 24295
• Publication Date: 2019-11-01
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/c9cp05257g
• Languages: English
• ISSNs: 1463-9076

Abstract

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.