Semi-empirical AMI method was used to study 1：1 and 1：2 hydrogen bond complexes formed with perylene dianhydride and pyridine derivatives. The weak interaction energy become bigger as the number of hydrogen bonds in...Semi-empirical AMI method was used to study 1：1 and 1：2 hydrogen bond complexes formed with perylene dianhydride and pyridine derivatives. The weak interaction energy become bigger as the number of hydrogen bonds increases. The donor groups on the host and electron-withdrawing groups on the guest molecules favor hydrogen bonding interactions, and the formation of hydrogen bonding leads to electron density flow from the host to the guest molecules. Electronic spectra of these complexes were computed using INDO/SCI method. Blue-shift of the clectronic absorption spectra for the complexes, comparing that of the host, takes place, and the first peaks for different complexes changed slightly. These are in agreement with the experimcntal results. The cause of blue-shift was discussed, and the electronic transitions were assigned based on theoretical calculations. The potential curve of double proton transfer in the complex was calculated, and the transition state and activated energy relative to the N H bond were obtained.展开更多
Two kinds of St/DVB copolymer beeds containing (1 - pyrenyl) formyl and(1 -pyrenyl) methyl groups respectively have been synthesized by both functionalization and copolymerization. The fluorescence spectra of the swo...Two kinds of St/DVB copolymer beeds containing (1 - pyrenyl) formyl and(1 -pyrenyl) methyl groups respectively have been synthesized by both functionalization and copolymerization. The fluorescence spectra of the swollen polymers synthesized are similar in shape to those of the corresponding model compounds, whilethe intensity ratio of excimer to monomer shows clear dependence on the contents ofthe pyrene groups.展开更多
Thin solid films of organic conjugated mole-cules are at the center of organic electronics. Low solubility and high sublimation temperature of porphyrin-perylene arrays make it impossible to fabricate uniform solid fi...Thin solid films of organic conjugated mole-cules are at the center of organic electronics. Low solubility and high sublimation temperature of porphyrin-perylene arrays make it impossible to fabricate uniform solid films with spin-coating and vacuum deposition methodology, though these arrays have important applications in the area of opto-electronics. Here we show that high quality thin films of a porphyrin-perylene array can be prepared by electro-chemical deposition, a facile and widely used film-forming technique. The electrophoretic species are protonated por-phyrin-perylene molecules, which allow us to grow molecular array films on electrodes. By annealing in ammonia atmos-phere or in vacuum at elevated temperature, the protons coordinated with molecular arrays on the deposited films can be eliminated and the porphyrin-perylene arrays recovered to their pristine state.展开更多
基金supported by the National Natural Science Foundation of China(20931001)Excellent Young Scholars of Higher University ofHeilongjiang Province,China,Science+2 种基金Technology Project of Mudanjiang,ChinaDoctoral Research Fund of Mudanjiang Teachers College,China(MSB:200902)Research Fund of Mudanjiang Teachers College,China(KY:200902)~~
文摘Semi-empirical AMI method was used to study 1：1 and 1：2 hydrogen bond complexes formed with perylene dianhydride and pyridine derivatives. The weak interaction energy become bigger as the number of hydrogen bonds increases. The donor groups on the host and electron-withdrawing groups on the guest molecules favor hydrogen bonding interactions, and the formation of hydrogen bonding leads to electron density flow from the host to the guest molecules. Electronic spectra of these complexes were computed using INDO/SCI method. Blue-shift of the clectronic absorption spectra for the complexes, comparing that of the host, takes place, and the first peaks for different complexes changed slightly. These are in agreement with the experimcntal results. The cause of blue-shift was discussed, and the electronic transitions were assigned based on theoretical calculations. The potential curve of double proton transfer in the complex was calculated, and the transition state and activated energy relative to the N H bond were obtained.
文摘Two kinds of St/DVB copolymer beeds containing (1 - pyrenyl) formyl and(1 -pyrenyl) methyl groups respectively have been synthesized by both functionalization and copolymerization. The fluorescence spectra of the swollen polymers synthesized are similar in shape to those of the corresponding model compounds, whilethe intensity ratio of excimer to monomer shows clear dependence on the contents ofthe pyrene groups.
基金This work was supported by the National Natural Science Foundation of China(Grant No. 90101008) the“973”Pro-gram of the Ministry of Science and Technology (Grant No.2002CB6 13401).
文摘Thin solid films of organic conjugated mole-cules are at the center of organic electronics. Low solubility and high sublimation temperature of porphyrin-perylene arrays make it impossible to fabricate uniform solid films with spin-coating and vacuum deposition methodology, though these arrays have important applications in the area of opto-electronics. Here we show that high quality thin films of a porphyrin-perylene array can be prepared by electro-chemical deposition, a facile and widely used film-forming technique. The electrophoretic species are protonated por-phyrin-perylene molecules, which allow us to grow molecular array films on electrodes. By annealing in ammonia atmos-phere or in vacuum at elevated temperature, the protons coordinated with molecular arrays on the deposited films can be eliminated and the porphyrin-perylene arrays recovered to their pristine state.
