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Issue 44, 2019
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A novel empirical method for quickly estimating the charge-transfer state of fullerene-donor derivatives

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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.

Graphical abstract: A novel empirical method for quickly estimating the charge-transfer state of fullerene-donor derivatives

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Article information


Submitted
24 Sep 2019
Accepted
25 Oct 2019
First published
26 Oct 2019

Phys. Chem. Chem. Phys., 2019,21, 24291-24295
Article type
Communication

A novel empirical method for quickly estimating the charge-transfer state of fullerene-donor derivatives

X. Liu, Y. Chai, B. Wu, L. Liu and C. Wang, Phys. Chem. Chem. Phys., 2019, 21, 24291
DOI: 10.1039/C9CP05257G

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