Ab Initio Study of Phosphorescence of Hetero[8]Circulenes
Sign Up to like & getrecommendations! Published in 2019 at "Russian Physics Journal"
DOI: 10.1007/s11182-019-01727-7
Abstract: Quantum chemical calculations of phosphorescence lifetime are performed for the first time by ab initio CC2 and TD-DFT methods for hetero[8]circulenes bearing Si and Ge atoms. According to the results of calculations, a lower value… read more here.
Keywords: initio study; hetero circulenes; phosphorescence; circulene ... See more keywords
Synthesis and Photodynamics of Tetragermatetrathia[8]circulene.
Sign Up to like & getrecommendations! Published in 2018 at "Organic letters"
DOI: 10.1021/acs.orglett.7b03764
Abstract: Tetragermatetrathia[8]circulene has successfully been synthesized from tetraiodotetrathienylene through palladium-catalyzed germylation and rhodium-catalyzed intramolecular dehydrogenative cyclization. A single-crystal X-ray diffraction analysis elucidated that tetragermatetrathia[8]circulene has a highly symmetric, planar, and rigid structure. DFT calculations suggested that… read more here.
Keywords: tetragermatetrathia circulene; photodynamics tetragermatetrathia; synthesis photodynamics; circulene ... See more keywords
Impact of molecular and packing structure on the charge-transport properties of hetero[8]circulenes
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Materials Chemistry C"
DOI: 10.1039/d0tc03674a
Abstract: Hetero[8]circulenes have been shown to be potential charge transport materials in the field-effect devices. In particular, the hole mobility of the octathia[8]circulene thin-film can reach as much as 9 Ć 10ā3 cm2 Vā1 sā1 with… read more here.
Keywords: charge transport; transport properties; circulene; charge ... See more keywords