Zhili Wen1, Judy I-Chia Wu. 1. University of Houston, Department of Chemistry, USA. jiwu@central.uh.edu.
Abstract
Density functional theory computations suggest that formally non-aromatic organic dyes, like diketopyrrolopyrrole, naphthodipyrrolidone, indigo, and isoindigo, show increased [4n] π-antiaromatic character and decreased LUMO orbital energies upon hydrogen bonding, making them suitable molecular candidates for applications in n-type organic field effect transistors.
Density functional theory computations suggest that formally non-aromatic organic dyes, like diketopyrrolopyrrole, n class="Chemical">naphthodipyrrolidone, indigo, and isoindigo, show increased [4n] π-antiaromatic character and decreased LUMO orbital energies upon hydrogen bonding, making them suitable molecular candidates for applications in n-type organic field effect transistors.
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