完整後設資料紀錄
DC 欄位 | 值 | 語言 |
---|---|---|
dc.contributor.author | Shen, Wei | en_US |
dc.contributor.author | Zhang, Wenting | en_US |
dc.contributor.author | Zhu, Chaoyuan | en_US |
dc.date.accessioned | 2018-08-21T05:54:28Z | - |
dc.date.available | 2018-08-21T05:54:28Z | - |
dc.date.issued | 2017-09-14 | en_US |
dc.identifier.issn | 1463-9076 | en_US |
dc.identifier.uri | http://dx.doi.org/10.1039/c7cp04376g | en_US |
dc.identifier.uri | http://hdl.handle.net/11536/145987 | - |
dc.description.abstract | Six platinum complexes bearing different electron-withdrawing groups (-CN, -NO2, -o-carborane, -SF5 and -CF2CF2CF3) have been designed to explore the electron-withdrawing capability and the conjugative effect of the substituents, and density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations have been performed to determine their electronic structures and phosphorescent properties. Three factors, including the oscillator strength mu(S-n) for S-0-S-n excitations, the energy gap between the triplet and singlet states DE(Sn-T1) and the spin-orbital coupling < T-1|(H) over cap (SOC)| S-n >, have been calculated to analyze the radiative processes. In addition, temperature-independent, temperature-dependent and triplet-triplet annihilation (TTA) have been analyzed to determine the non-radiative decay processes. Introducing strong electron-withdrawing groups into phosphorescent transition-metal complexes has a significant impact on the phosphorescent properties and some regularity besides the inductive effect (the electron-withdrawing capability) and the conjugative effect of the substituents. The stronger electron-withdrawing capability and smaller conjugative effect can give rise to blue-shifted emission behavior and give larger radiative decay rate constants. The results demonstrate that complex 4 (-NO2 substituted) and complex 2 (-o-carborane) are possible candidates for blue-emitting materials. | en_US |
dc.language.iso | en_US | en_US |
dc.title | Theoretical study of the substituent effect controlling the radiative and non-radiative decay processes of platinum(II) complexes | en_US |
dc.type | Article | en_US |
dc.identifier.doi | 10.1039/c7cp04376g | en_US |
dc.identifier.journal | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | en_US |
dc.citation.volume | 19 | en_US |
dc.citation.spage | 23532 | en_US |
dc.citation.epage | 23540 | en_US |
dc.contributor.department | 應用化學系 | zh_TW |
dc.contributor.department | 應用化學系分子科學碩博班 | zh_TW |
dc.contributor.department | Department of Applied Chemistry | en_US |
dc.contributor.department | Institute of Molecular science | en_US |
dc.identifier.wosnumber | WOS:000408671600095 | en_US |
顯示於類別: | 期刊論文 |