1396175-52-2Relevant academic research and scientific papers
Triplet-energy control of polycyclic aromatic hydrocarbons by BN replacement: Development of ambipolar host materials for phosphorescent organic light-emitting diodes
Hashimoto, Sigma,Ikuta, Toshiaki,Shiren, Kazushi,Nakatsuka, Soichiro,Ni, Jingping,Nakamura, Masaharu,Hatakeyama, Takuji
, p. 6265 - 6271 (2014)
In this work, we achieved the triplet-energy control of polycyclic aromatic hydrocarbons (PAHs) by replacing the Carbon-Carbon (CC) unit with a Boron-Nitrogen (BN) unit. Time-dependent density functional theory calculations suggested that the insertion of the BN unit may cause localization of the singly occupied molecular orbitals 1 and 2 (SOMO1/SOMO2) in the triplet state, which in turn can reduce the exchange interaction and dramatically increase the high singlet-triplet excitation energy (ET). The PAH containing the BN unit, 4b-aza-12b-boradibenzo[g,p]chrysene, showed a large ET value and ambipolar carrier-transport abilities. The introduction of a phenyl substituent on 4b-aza-12b-boradibenzo[g,p]chrysene slightly reduced the ET values and the carrier-transport abilities, but increased the glass-transition temperatures. On the basis of these findings, we successfully built phosphorescent organic light-emitting diodes using the BN compounds as host materials, which exhibit a superior performance over the device using a representative host material, 4,4'-bis(N-carbazolyl)-1,1'-biphenyl, not only in terms of efficiency but also in terms of device lifetime. This study demonstrated the potential of BN-embedded polycyclic aromatics in organic electronics and showed a novel strategy to achieve triplet-energy control of aromatic compounds.
POLYCYCLIC AROMATIC COMPOUND
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, (2014/07/22)
The invention provides a polycyclic aromatic compound or a salt thereof having a partial structure represented by the following general formula (I): wherein X, ring A, ring B, ring C, and ring D are as defined in the specification.
