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Heptacene
Published in Klaus D. Sattler, 21st Century Nanoscience – A Handbook, 2020
Holger F. Bettinger, Peter Grüninger
Tetracene and pentacene, along with some of their derivatives, received significant attention as organic semiconductors. There exist very good reviews on the properties of acenes and their applications as organic semiconductors, and the reader is referred to this literature for further information (Bendikov et al., 2004b; Anthony, 2006, 2008; Watanabe et al., 2013; Suzuki et al., 2014; Ye and Chi, 2014; Ortmann et al., 2015).
Comprehensive study of the correlations that exist among the members of the [n]cyclacene series and the Möbius[n]cyclacene series
Published in Molecular Physics, 2018
The eigenvector values for 2,3,6,7-tetramethylenylanthracene diradical or tetracene will give the antisymmetric eigenvectors for [10]cyclacene. The right-hand mirror-plane fragment of 2,3,6,7-tetramethylenylanthracene diradical and tetracene as done for antracene-2,3-quinododimethide in Figure 10 for [9]cyclacene. This fragment has alternating normal vertices and weighted – 1 vertices. The right-hand mirror-plane fragment of each is complementary to the other because interchanging the normal and weighted – 1 of each gives the other. The eigenvector coefficients for tetracene can be found in Streitwieser's Dictionary of π–Electron Calculations [44,45] and those for 2,3,6,7-tetramethylenylanthracene diradical can be deduced from its complimentary relationship to tetracene. Figure 11 shows the general solution for the unique eigenvalues which along with their special embedding given in Figure 1 allows one to obtain their eigenvectors.
Singlet fission in tetracene: an excited state analysis
Published in Molecular Physics, 2020
Luis Enrique Aguilar Suarez, Maximilian F. S. J. Menger, Shirin Faraji
The interpretation dependency on the fragmentation scheme has been previously discussed [34]. To explore this influence, the tetracene molecule was fragmented asymmetrically in two, four and five units and the electron-hole correlation plots are shown in the Supporting Information. The plots show patterns that are difficult to interpret and relate to the NTO analysis. Previously another scheme with five fragments in tetracene was reported [32]. Symmetric fragmentation is suggested to be the most suitable choice when possible, as it is done in this work, and if the units are not chemically equivalent the results should be analysed with care [32].