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| Fältnamn | Indikatorer | Metadata |
|---|---|---|
| 000 | 04533naa a2200349 4500 | |
| 001 | oai:lup.lub.lu.se:4346028a-0b8a-4bfb-b0e0-069de0b51832 | |
| 003 | SwePub | |
| 008 | 160401s2006 | |||||||||||000 ||eng| | |
| 024 | 7 | a https://lup.lub.lu.se/record/4094622 URI |
| 024 | 7 | a https://doi.org/10.1021/jp060275m2 DOI |
| 040 | a (SwePub)lu | |
| 041 | a engb eng | |
| 042 | 9 SwePub | |
| 072 | 7 | a art2 swepub-publicationtype |
| 072 | 7 | a ref2 swepub-contenttype |
| 100 | 1 | a Sun, Mengtaou Lund University,Lunds universitet,Kemisk fysik,Enheten för fysikalisk och teoretisk kemi,Kemiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Chemical Physics,Physical and theoretical chemistry,Department of Chemistry,Departments at LTH,Faculty of Engineering, LTH4 aut0 (Swepub:lu)chem-msu |
| 245 | 1 0 | a Control of emission by intermolecular fluorescence resonance energy transfer and intermolecular charge transfer |
| 264 | c 2006-04-25 | |
| 264 | 1 | b American Chemical Society (ACS),c 2006 |
| 520 | a Control of emission by intermolecular fluorescence resonant energy transfer (IFRET) and intermolecular charge transfer (ICT) is investigated with the quantum-chemistry method using two-dimensional (2D) and three-dimensional (3D) real space analysis methods. The work is based on the experiment of tunable emission from doped 1,3,5-triphenyl-2-pyrazoline (TPP) organic nanoparticles (Peng, A. D.; et al. AdV. Mater. 2005, 17, 2070). First, the excited-state properties of the molecules, which are studied (TPP and DCM) in that experiment, are investigated theoretically. The results of the 2D site representation reveal the electron-hole coherence and delocalization size on the excitation. The results of 3D cube representation analysis reveal the orientation and strength of the transition dipole moments and intramolecular or intermolecular charge transfer. Second, the photochemical quenching mechanism via IFRET is studied (here "resonance" means that the absorption spectrum of TPP overlaps with the fluorescence emission spectrum of DCM in the doping system) by comparing the orbital energies of the HOMO (highest occupied molecular orbital) and the LUMO (lowest unoccupied molecular orbital) of DCM and TPP in absorption and fluorescence. Third, for the DCM-TPP complex, the nonphotochemical quenching mechanism via ICT is investigated. The theoretical results show that the energetically lowest ICT state corresponds to a pure HOMO-LUMO transition, where the densities of the HOMO and LUMO are strictly located on the DCM and TPP moieties, respectively. Thus, the lowest ICT state corresponds to an excitation of an electron from the HOMO of DCM to the LUMO of TPP. | |
| 650 | 7 | a NATURVETENSKAPx Fysikx Atom- och molekylfysik och optik0 (SwePub)103022 hsv//swe |
| 650 | 7 | a NATURAL SCIENCESx Physical Sciencesx Atom and Molecular Physics and Optics0 (SwePub)103022 hsv//eng |
| 700 | 1 | a Pullerits, Tönuu Lund University,Lunds universitet,Kemisk fysik,Enheten för fysikalisk och teoretisk kemi,Kemiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Chemical Physics,Physical and theoretical chemistry,Department of Chemistry,Departments at LTH,Faculty of Engineering, LTH4 aut0 (Swepub:lu)chph-tp |
| 700 | 1 | a Kjellberg, Päru Lund University,Lunds universitet,Kemisk fysik,Enheten för fysikalisk och teoretisk kemi,Kemiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Chemical Physics,Physical and theoretical chemistry,Department of Chemistry,Departments at LTH,Faculty of Engineering, LTH4 aut0 (Swepub:lu)chph-pkj |
| 700 | 1 | a Beenken, Wichardu Lund University,Lunds universitet,Kemisk fysik,Enheten för fysikalisk och teoretisk kemi,Kemiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Chemical Physics,Physical and theoretical chemistry,Department of Chemistry,Departments at LTH,Faculty of Engineering, LTH4 aut0 (Swepub:lu)chph-wbe |
| 700 | 1 | a Han, K L4 aut |
| 710 | 2 | a Kemisk fysikb Enheten för fysikalisk och teoretisk kemi4 org |
| 773 | 0 | t The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theoryd : American Chemical Society (ACS)g 110:19, s. 6324-6328q 110:19<6324-6328x 1520-5215 |
| 773 | 0 | t The Journal of Physical Chemistry Ad : American Chemical Society (ACS)g 110:19, s. 6324-6328q 110:19<6324-6328x 1089-5639 |
| 856 | 4 | u http://dx.doi.org/10.1021/jp060275my FULLTEXT |
| 856 | 4 8 | u https://lup.lub.lu.se/record/409462 |
| 856 | 4 8 | u https://doi.org/10.1021/jp060275m |
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