Synthesis of Coronene Using Microwave Irradiation

Using microwave irradiation, perylene was obtained from 3,4,9,10-perylenetetracar- boxylic dianhydride with copper powder in boiling quinoline. With the same method, 1,12- benzoperylene was synthesized from 1, 12-benzoperylene-1, 2-dicarboxylic anhydride, and coronene was prepared from coronene-1, 2- dicarboxylic anhydride with good yield. Through Dields-Alder reaction, 1, 12-benzoperylene-1, 2-dicarboxylic anhydride and coronene-1,2- dicarboxylic anhydride were also prepared using microwave irradiation.

Electronic structures and coronene on Ru（0001）： vibrational properties of first-principles study

We calculate the configurations, electronic structures, vibrational properties at the coronene/Ru（0001） interface, and adsorption of a single Pt atom on coronene/Ru（0001） based on density functional theory calculations. The geometric structures and electronic structures of the coronene on Ru（0001） are compared with those of the graphene/Ru（0001）. The results show that the coronene/Ru（0001） can be a simplified model system used to describe the interaction between graphene and ruthenium. Further calculations of the vibrational properties of coronene molecule adsorbed on Ru（0001） suggest that the phonon properties of differently corrugated regions of graphene on Ru（0001） are different. This model system is also used to investigate the selective adsorption of Ft atoms on graphene/Ru（0001）. The configurations of Pt on coronene/Ru（0001） with the lowest binding energy give clues to explain the experimental observation that a Pt cluster selectively adsorbs on the second highest regions of graphene/Ru（0001）. This work provides a simple model for understanding the adsorption properties and vibrational properties of graphene on Ru（0001） substrate.

Theoretical Study on the Charge Transport Properties of Coronene and Its Derivatives

Molecular structures, reorganization energies and charge transport matrix elements of coronene and its fluoro-, hydroxyl- and sulfhydryl-substituted derivatives have been studied at the B3LYP/6-31G＊＊ level. Based on the semi-classical model of electron transfer, charge transport rate constants of the title molecules have been calculated. The results indicate that the coronene molecule is helpful to the transport of negative charge, and the transport rate of positive charge is between those of hexaazatriphenylene and triphenylene.

Advances in the study of the host-guest interaction by using coronene as the guest molecule

Host-guest chemistry in two-dimensional (2D) networks has gained much interest for the new functionalities and potential applications, such as separation technology, photogenic crystals and biomimetic surfaces. Nanoporous supramolecular networks are assembled by a range of non-covalent forces like hydrogen bonds, van der Waals interactions and coordinate bonds, to immobilize guest molecules of different sizes and shapes. In this review, we mainly presented the effect of coronene on the host-guest architecture. Coronene (COR) is chosen to be the promising guest molecule and it can embed, cover, or change the host networks in different host-guest systems. All of the research in the review was finished with assistance of scanning tunneling microscope (STM). These studies were called upon impose controlling on host-guest systems and revealed the behaviors of COR clusters as guest molecules.

Synthesis and optoelectronic properties of a novel molecular semiconductor of dithieno[5,6-b:11,12-b']coronene-2,3,8,9-tetracarboxylic tetraester

A facile procedure for the synthesis ofdithieno[5,6-b：11,12-b＇]coronene-2,3,8,9-tetracarboxylic tetra（2- ethylhexyl）ester （DTCTI＇E-EH） from readily available perylene-3,4,9,10-tetracaroboxylic dianhydride is described. The electronic properties of DTCTTE-EH were elucidated on the basis of UV-vis spectra, emission spectrum and electrochemical measurement, which demonstrate that DTCTTE is a new class of components for promising semiconducting materials.