高技术通讯
高技術通訊
고기술통신
HIGH TECHNOLOGY LETTERS
2001年
4期
89-90,103
,共3页
李昕%黄玉东%牛海军%白续铎%张桂玲%陈九顺
李昕%黃玉東%牛海軍%白續鐸%張桂玲%陳九順
리흔%황옥동%우해군%백속탁%장계령%진구순
DCBP%TPD%空穴输送材料(HTL)%量子化学计算
DCBP%TPD%空穴輸送材料(HTL)%量子化學計算
DCBP%TPD%공혈수송재료(HTL)%양자화학계산
通过Ullmann反应,以4,4′-二碘代联苯(DIBP)和咔唑为主要原料,合成了空穴输送材料4,4′-二(9-咔唑)联苯(DCBP)。通过红外光谱、核磁共振谱等分析手段对其结构进行了表征。采用量子化学从头算的方法,对电离势、前线轨道能级和共轭能进行了计算。结果表明,作为空穴输送材料,DCBP明显优于通常使用的N,N′-二取代苯基联苯胺衍生物(TPD)。
通過Ullmann反應,以4,4′-二碘代聯苯(DIBP)和咔唑為主要原料,閤成瞭空穴輸送材料4,4′-二(9-咔唑)聯苯(DCBP)。通過紅外光譜、覈磁共振譜等分析手段對其結構進行瞭錶徵。採用量子化學從頭算的方法,對電離勢、前線軌道能級和共軛能進行瞭計算。結果錶明,作為空穴輸送材料,DCBP明顯優于通常使用的N,N′-二取代苯基聯苯胺衍生物(TPD)。
통과Ullmann반응,이4,4′-이전대련분(DIBP)화잡서위주요원료,합성료공혈수송재료4,4′-이(9-잡서)련분(DCBP)。통과홍외광보、핵자공진보등분석수단대기결구진행료표정。채용양자화학종두산적방법,대전리세、전선궤도능급화공액능진행료계산。결과표명,작위공혈수송재료,DCBP명현우우통상사용적N,N′-이취대분기련분알연생물(TPD)。
4,4′-dis (9-Carbazole) biphenyl (DCBP), which is a hole transport material and has a symmetrical structure, was synthesized by Ullmann reaction with 4,4′-disiodo-biphenyl and carbazole.The structure of DCBP was (DIBP) characterized with IR and NMR spectra.Some quantum data such as ionization energy,advanced linear orbital level and conjugated energy were calculated by quantum chemical initial calculation method.The results indicated that the thermal stability of DCBP is better than that of TPP,which is simply explained in theory.