Reduced rate constants of photoinduced electron transfer in intramolecular fluorescence quenching of donor-acceptor podands induced by cation-complexation are observed in the highly exothermic reactions.
In this work, the excited states of the title compounds are calculated by using time-dependent density functional theory (TDDFT). Firstly, the variation of the sequences of intramolecular charge local excitation (LE) ...In this work, the excited states of the title compounds are calculated by using time-dependent density functional theory (TDDFT). Firstly, the variation of the sequences of intramolecular charge local excitation (LE) and intramolecular charge transfer (CT) in the gas phase is studied by changing electron donors or acceptors. Then, the effects of Polarized Continuum Model (PCM) and Self-consistent Isodensity Polarized Continuum Model (SCI-PCM) in solvents on the calculated results are discussed. It is shown that the calculated results obtained by the PCM are in more agreement with the experimental data. Finally, the excited states of compounds in different solvents were calculated by PCM. Compared with the results obtained in gas phase, the absorption spectra of the CT state in the solvents have a larger red shift; however, the spectra for the LE state are hardly changed.展开更多
通过运用锰砂、黄铁矿及PHBV等功能性填料,构建以特定方式分层填充的生物滤柱(BF-MP)和对照组滤柱(BF-MN、BF-PP、BF-CK),为实现硝化-反硝化处理微污染水提供新方式。探究不同条件下氮转化效果,分析不同形态的氮及磷沿程变化,探索氮磷...通过运用锰砂、黄铁矿及PHBV等功能性填料,构建以特定方式分层填充的生物滤柱(BF-MP)和对照组滤柱(BF-MN、BF-PP、BF-CK),为实现硝化-反硝化处理微污染水提供新方式。探究不同条件下氮转化效果,分析不同形态的氮及磷沿程变化,探索氮磷去除途径。结果表明,脱氮效果受水力停留时间(HRT)、温度(T)影响,延长HRT或提高温度出水总氮降低,BF-MP硝氮去除率可达100%。沿程变化表明,NO_(3)^(-)-N主要在黄铁矿和PHBV混合填充区通过反硝化过程去除。BF-MP在HRT=12 h T=20~25℃时,脱氮除磷性能均较好,总氮去除率达到79.87%,磷酸根去除率达到75.19%,且长期运行出水稳定,具有良好的应用前景,为生物滤池及人工湿地的设计运行提供新思路。展开更多
基金We are grateful to the National NatUral Science Foundation of China for support this work.!(grantNO. 29733100)
文摘Reduced rate constants of photoinduced electron transfer in intramolecular fluorescence quenching of donor-acceptor podands induced by cation-complexation are observed in the highly exothermic reactions.
基金This work was supported by the Startup Foundation of Scientific Research for the Elitists Introduced into Jinan University
文摘In this work, the excited states of the title compounds are calculated by using time-dependent density functional theory (TDDFT). Firstly, the variation of the sequences of intramolecular charge local excitation (LE) and intramolecular charge transfer (CT) in the gas phase is studied by changing electron donors or acceptors. Then, the effects of Polarized Continuum Model (PCM) and Self-consistent Isodensity Polarized Continuum Model (SCI-PCM) in solvents on the calculated results are discussed. It is shown that the calculated results obtained by the PCM are in more agreement with the experimental data. Finally, the excited states of compounds in different solvents were calculated by PCM. Compared with the results obtained in gas phase, the absorption spectra of the CT state in the solvents have a larger red shift; however, the spectra for the LE state are hardly changed.
文摘通过运用锰砂、黄铁矿及PHBV等功能性填料,构建以特定方式分层填充的生物滤柱(BF-MP)和对照组滤柱(BF-MN、BF-PP、BF-CK),为实现硝化-反硝化处理微污染水提供新方式。探究不同条件下氮转化效果,分析不同形态的氮及磷沿程变化,探索氮磷去除途径。结果表明,脱氮效果受水力停留时间(HRT)、温度(T)影响,延长HRT或提高温度出水总氮降低,BF-MP硝氮去除率可达100%。沿程变化表明,NO_(3)^(-)-N主要在黄铁矿和PHBV混合填充区通过反硝化过程去除。BF-MP在HRT=12 h T=20~25℃时,脱氮除磷性能均较好,总氮去除率达到79.87%,磷酸根去除率达到75.19%,且长期运行出水稳定,具有良好的应用前景,为生物滤池及人工湿地的设计运行提供新思路。