Addition/Correction pubs.acs.org/JPCA
Correction to “Effects of Heteroatoms of Tetracene and Pentacene Derivatives on Their Stability and Singlet Fission” Yuhan Chen, Li Shen, and Xiyou Li* J. Phys. Chem. A 2014, 118 (30), 5700−5708. DOI: 10.1021/jp503114b S Supporting Information *
When we revised our manuscript according to the reviewers’ advice, the molecule serial numbers in Tables S3, S4, S6, and S7 of the Supporting Information were not revised accordingly. Therefore, the molecule serial numbers in these tables are not consistent with the molecule serial numbers in the article. Fortunately, this mistake does not affect the validity of our article; hence, the article published does not need to be revised. However, to avoid misunderstanding for the readers, we submit corrected Supporting Information.
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ASSOCIATED CONTENT
S Supporting Information *
Comparisons of HOMOs, LUMOs, and HOMO−LUMO gaps of molecules with different basis sets at the B3LYP level. ⟨S2⟩ values for Tn (n = 1, 2) states of the 50 compounds obtained at the B3LYP/6-31G* level. Molecular structures, molecular orbital diagram (including nitrogen-containing tetracene derivatives), frontier molecular orbital energies, and excited state energies of nitrogen-containing pentacene derivatives. Molecular structures, energies of frontier molecular orbitals, and excited states of nitrogen-containing tetracene derivatives. Molecular structures, energies of frontier molecular orbitals, and excited states of thiophene-containing tetracene and pentacene derivatives. Full author list for ref 37. This material is available free of charge via the Internet at http://pubs.acs.org.
Published: October 21, 2014 © 2014 American Chemical Society
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dx.doi.org/10.1021/jp510334n | J. Phys. Chem. A 2014, 118, 10157−10157
