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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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Publication details

The article was received on 24 Sep 2019, accepted on 25 Oct 2019 and first published on 26 Oct 2019


Article type: Communication
DOI: 10.1039/C9CP05257G
Phys. Chem. Chem. Phys., 2019, Advance Article

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    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, Advance Article , DOI: 10.1039/C9CP05257G

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