Aiming at the construction of novel rotaxanes with desired luminescent properties for practical applications, recently the rapid development of rotaxanes decorated with aggregation-induced emission(AIE) luminogens(i.e...Aiming at the construction of novel rotaxanes with desired luminescent properties for practical applications, recently the rapid development of rotaxanes decorated with aggregation-induced emission(AIE) luminogens(i.e., AIEgens) has been witnessed. The combination of AIEgens and rotaxanes leads to the successful construction of a novel type of luminescent rotaxanes with many attractive features. In particular, the unique controllable dynamic feature of rotaxanes endows the resultant AIEgen-based rotaxanes precisely tunable emissions under external stimuli, leading to the construction of a novel type of smart luminescent materials. In this minireview, the recent progress of AIEgen-based rotaxanes has been summarized, with an emphasis on the design strategy and potential applications.展开更多
The present work illustrates a predictive method, based on graph theory, for different types of energy of subatomic particles, atoms and molecules, to be specific, the mass defect of the first thirteen elements of the...The present work illustrates a predictive method, based on graph theory, for different types of energy of subatomic particles, atoms and molecules, to be specific, the mass defect of the first thirteen elements of the periodic table, the rotational and vibrational energies of simple molecules (such as , H2, FH and CO) as well as the electronic energy of both atoms and molecules (conjugated alkenes). It is shown that such a diverse group of energies can be expressed as a function of few simple graph-theoretical descriptors, resulting from assigning graphs to every wave function. Since these descriptors are closely related to the topology of the graph, it makes sense to wonder about the meaning of such relation between energy and topology and suggests points of view helping to formulate novel hypotheses about this relation.展开更多
The thermal stability of the soliton excited in the protein molecular system which work at finite temperature and a nonlinear vibration of the molecular chain have beed studied in our theory. The results obtained show...The thermal stability of the soliton excited in the protein molecular system which work at finite temperature and a nonlinear vibration of the molecular chain have beed studied in our theory. The results obtained show that the soliton moves in supersonic velocity and the amplitude of soliton depends on the temperature and the strengthen of nonlinear vibration. but the soliton excited is thermal stable in the case of the physiologic temperature 310K.展开更多
The C--C bond dissociation energy （BDE） is a very important data in research of hydrocarbon cracking reactions, because it reflects the difficulty level of chemical reactions. But it is very difficult to obtain the ...The C--C bond dissociation energy （BDE） is a very important data in research of hydrocarbon cracking reactions, because it reflects the difficulty level of chemical reactions. But it is very difficult to obtain the C--C bond dissociation energy （BDE） by experiments, so using quantum chemistry calculation such as density functional theory （DFT） to study the C--C bond dissociation energy is a very useful means. The impact of acceptor substituents and donor substituents on the C--C bond length distribution was studied.展开更多
The functionalities of hydrogel-based smart materials are highly related to the electrostatic interactions and molecular polarization associated with the polymer networks and encapsulated water droplets,and therefore ...The functionalities of hydrogel-based smart materials are highly related to the electrostatic interactions and molecular polarization associated with the polymer networks and encapsulated water droplets,and therefore the dielectric responses of the polarizable molecules in the polymer,water,and polymer-water interfaces are particularly attractive,where the properties of polymer-water interfacial molecules remain elusive.Different from extensive dielectric relaxation spectroscopy studies on polymer hydrogel solutions,in this work we investigate the dielectric response of chitosan hydrogels below the water solidifying point(ice-hydrogels)so that the contribution of chitosan-water interfacial molecules can be isolated.It is revealed that the chitosan-water interfacial polarizable molecules have slow dielectric relaxation but large polarization compared with the chitosan chains and water molecules,and the dielectric relaxations beyond~10^(4)Hz are substantially weak.The thermal activation energy of the dielectric relaxation for these interfacial polarizable molecules can be as large as 0.93 eV,i.e.89.73 kJ/mol.The present work provides a platform for characterizing the polymer-water electrostatic interactions and interfacial polarizable molecules,informative to understand the microstructure-property relationships of chitosan-based hydrogel materials.展开更多
In this work, we investigated the energy transfer (EnT) and electron transfer (ET) processes as well as their relationship in the carbon quantum dots/rhodamine B (CQDs/RhB) including o-CQDs/Rh B and m-CQDs/RhB systems...In this work, we investigated the energy transfer (EnT) and electron transfer (ET) processes as well as their relationship in the carbon quantum dots/rhodamine B (CQDs/RhB) including o-CQDs/Rh B and m-CQDs/RhB systems by using photoluminescence spectroscopy in combination with steady-state and transient absorption spectroscopy. We found that the ET process is negligible in the o-CQDs/RhB system with an EnT efficiency as high as 73.2%,while it becomes pronounced in the m-CQDs/RhB system whose EnT efficiency is lower than 33.5%. Such an interplay of En T and ET processes revealed in the prototypical composite system consisting of carbon quantum dots and dye molecules would provide helpful insights for applications of relevance to exciton quenching.展开更多
基金financial support sponsored by the National Natural Science Foundation of China(No.22001073)the Fundamental Research Funds for the Central Universitiesthe Research Fund Program of Guangdong Provincial Key Laboratory of Functional and Intelligent Hybrid Materials and Devices(No.2020-GDKLFSHMD-07)。
文摘Aiming at the construction of novel rotaxanes with desired luminescent properties for practical applications, recently the rapid development of rotaxanes decorated with aggregation-induced emission(AIE) luminogens(i.e., AIEgens) has been witnessed. The combination of AIEgens and rotaxanes leads to the successful construction of a novel type of luminescent rotaxanes with many attractive features. In particular, the unique controllable dynamic feature of rotaxanes endows the resultant AIEgen-based rotaxanes precisely tunable emissions under external stimuli, leading to the construction of a novel type of smart luminescent materials. In this minireview, the recent progress of AIEgen-based rotaxanes has been summarized, with an emphasis on the design strategy and potential applications.
文摘The present work illustrates a predictive method, based on graph theory, for different types of energy of subatomic particles, atoms and molecules, to be specific, the mass defect of the first thirteen elements of the periodic table, the rotational and vibrational energies of simple molecules (such as , H2, FH and CO) as well as the electronic energy of both atoms and molecules (conjugated alkenes). It is shown that such a diverse group of energies can be expressed as a function of few simple graph-theoretical descriptors, resulting from assigning graphs to every wave function. Since these descriptors are closely related to the topology of the graph, it makes sense to wonder about the meaning of such relation between energy and topology and suggests points of view helping to formulate novel hypotheses about this relation.
文摘The thermal stability of the soliton excited in the protein molecular system which work at finite temperature and a nonlinear vibration of the molecular chain have beed studied in our theory. The results obtained show that the soliton moves in supersonic velocity and the amplitude of soliton depends on the temperature and the strengthen of nonlinear vibration. but the soliton excited is thermal stable in the case of the physiologic temperature 310K.
文摘The C--C bond dissociation energy （BDE） is a very important data in research of hydrocarbon cracking reactions, because it reflects the difficulty level of chemical reactions. But it is very difficult to obtain the C--C bond dissociation energy （BDE） by experiments, so using quantum chemistry calculation such as density functional theory （DFT） to study the C--C bond dissociation energy is a very useful means. The impact of acceptor substituents and donor substituents on the C--C bond length distribution was studied.
基金This work was financially supported from the National Key Research Program of China(Grant Nos.2016YFA0300101 and 2015CB654602)the National Natural Science Foundation of China(Grant Nos.51431006 and 51721001).
文摘The functionalities of hydrogel-based smart materials are highly related to the electrostatic interactions and molecular polarization associated with the polymer networks and encapsulated water droplets,and therefore the dielectric responses of the polarizable molecules in the polymer,water,and polymer-water interfaces are particularly attractive,where the properties of polymer-water interfacial molecules remain elusive.Different from extensive dielectric relaxation spectroscopy studies on polymer hydrogel solutions,in this work we investigate the dielectric response of chitosan hydrogels below the water solidifying point(ice-hydrogels)so that the contribution of chitosan-water interfacial molecules can be isolated.It is revealed that the chitosan-water interfacial polarizable molecules have slow dielectric relaxation but large polarization compared with the chitosan chains and water molecules,and the dielectric relaxations beyond~10^(4)Hz are substantially weak.The thermal activation energy of the dielectric relaxation for these interfacial polarizable molecules can be as large as 0.93 eV,i.e.89.73 kJ/mol.The present work provides a platform for characterizing the polymer-water electrostatic interactions and interfacial polarizable molecules,informative to understand the microstructure-property relationships of chitosan-based hydrogel materials.
基金supported by the National Key Research and Development Program on Nano Science and Technology of MOST(No.2016YFA0200602 and No.2018YFA0208702)the National Natural Science Foundation of China(No.21573211 and No.21633007)the Anhui Initiative in Quantum Information Technologies(AHY090200)
文摘In this work, we investigated the energy transfer (EnT) and electron transfer (ET) processes as well as their relationship in the carbon quantum dots/rhodamine B (CQDs/RhB) including o-CQDs/Rh B and m-CQDs/RhB systems by using photoluminescence spectroscopy in combination with steady-state and transient absorption spectroscopy. We found that the ET process is negligible in the o-CQDs/RhB system with an EnT efficiency as high as 73.2%,while it becomes pronounced in the m-CQDs/RhB system whose EnT efficiency is lower than 33.5%. Such an interplay of En T and ET processes revealed in the prototypical composite system consisting of carbon quantum dots and dye molecules would provide helpful insights for applications of relevance to exciton quenching.
