Single molecule spectroscopy as a probe for dye-polymer interactions

Journal of the American Chemical Society

Volumn 127, Issue 34, 2005, Pages 12011-12020

  Vallée, Renaud A L ^a   Marsal, Philippe ^b   Braeken, Els ^a   Habuchi, Satoshi ^a   De Schryver, Frans C ^a   Van Der Auweraer, Mark ^a   Beljonne, David ^b   Hofkens, Johan ^a  

^a UNIVERSITY OF LEUVEN   (Belgium)

^b UNIVERSITY OF MONS   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; FLUORESCENCE; MOLECULAR STRUCTURE; MONTE CARLO METHODS; POLYMERS; POLYSTYRENES;

ALKYL SIDE CHAINS; PLANAR CONFORMERS;

DYES;

1,1' DIOCTADECYL 3,3,3',3' TETRAMETHYLINDOCARBOCYANINE; ALKYL GROUP; DYE; POLYMER; POLYSTYRENE;

ARTICLE; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; CONFORMATION; FLUORESCENCE; MOLECULAR DYNAMICS; MONTE CARLO METHOD; QUANTUM CHEMISTRY; SINGLE MOLECULE SPECTROSCOPY; SPECTROSCOPY;

EID: 24144450540     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja051016y     Document Type: Article

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25. To draw the boxes shown in Figure 3c, we have proceeded in the following way. We first centred each of them on the lifetime axis exactly at the positions of the first and second peaks in the lifetime distribution (projections from Figure 3a to 3c). The width of the box in lifetime is determined by continuity of the density of points around the center. We proceeded in the same way on the line width axis. For the right upper box, we had to find a compromise between centering the box at the position of the second peak in the line width distribution (projection from Figure 3b to 3c) and the argument of continuity of the density of points within the box. As the two peaks are not so nicely resolved in this case, compared to the lifetime distribution, we decided to favor the continuity argument, which explains why the center of the right upper box is lower than the projection of the second peak in line width.
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28. The depth of the "dip" between both maxima at 5% holes and 8% holes exceeds the standard deviation on the occurrence. The latter equals (assuming a Poisson distribution) the square root of the occurrence. This amounts to 4.4 and 3.2 for 5% and 89% holes, respectively. On the other hand, the probability for the minimum occurrence at 6% holes to be 0 at an expectation value of 3 events or more is less than 0.05. Hence one can safely assume the distribution to be bimodal.