Effect of methyl substitution on optoelectronic properties of 1,3,6,8-tetraphenyl pyrenes

Geometric structures of the ground states and excited states,frontier molecular orbitals,ionization potentials,electron affinities,reorganization energies,and absorption and emission spectra of three novel methyl-substituted 1,3,6,8-tetra-phenylpyrenes were studied theoretically by quantum-chemical...

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Detalhes bibliográficos
Main Authors: LIU Yanling, DU Man, LIU Pengjun, HAN Lizhi, WANG Enju
Formato: Artigo
Idioma:Inglês
Publicado em: Academic Journals Center of Shanghai Normal University 2014-06-01
Colecção:Journal of Shanghai Normal University (Natural Sciences)
Assuntos:
methyl-substituted 1,3,6,8-tetra-phenylpyrenes
optoelectronic properties
density functional theory (DFT)
Acesso em linha:http://qktg.shnu.edu.cn/zrb/shsfqkszrb/ch/reader/create_pdf.aspx?file_no=201403012&flag=1&year_id=2014&quarter_id=3
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