Muath Nairat Dantus Research Group 6202017 1 Nairat M et al Phys Chem Chem Phys 2017 19 14085 Cyanines structure amp optical response Guennic B et al ID: 642397
Download Presentation The PPT/PDF document "Time-Resolved Signatures Across the Intr..." is the property of its rightful owner. Permission is granted to download and print the materials on this web site for personal, non-commercial use only, and to display it on your personal computer provided you do not modify the materials and that you retain all copyright notices contained in the materials. By downloading content from our website, you accept the terms of this agreement.
Slide1
Time-Resolved Signatures Across the Intramolecular Response in Substituted Cyanine Dyes
Muath Nairat
Dantus Research Group6/20/2017
1
Nairat,
M
.
et
al.,
Phys. Chem. Chem. Phys.
2017,
19,
14085Slide2
Cyanines structure & optical response
Guennic
B. et al Acc. Chem. Res. 2015, 48, 530Absorbance
2
Rosspeintner
A.
et
al
Annu
. Rev. Phys. Chem.
2015,
64,
247Slide3
Applications of
cyanines
Biomedical imaging
Solar energy capture
Photodynamic therapy
Zhao Y.
et
al
Adv
. Optical Mater
.
2014,
2,
606
Ormond A. B
.
et al
Materials.
2013,
6,
817
Fang C
.
et al
Sci. Rep. 6, 21013
3Slide4
Unsubstituted cyanine:
Substituted cyanine:
Cyanine’s electronic structures
Non-polar
response
Polar
response
4Slide5
Synthesis
5Slide6
Substituent
Nucleophilicity
Abs. blue shift
Stokes shift
Optical properties
6Slide7
Experimental Setup
7Slide8
TL
Negative ChirpPositive Chirp
8
Blue
RedSlide9
Chirp response
9Slide10
PBE
α
/6-311+G(3d,p)α
=0.456
Ground state structure10Slide11
PBE
α/6-311+G(3d,p)α=0.456
NBO
Charge
on
central C (e
)
mPi-IR806
0.463
mAn-IR806
0.410
mTF-IR806
0.387
IR806
0.057
Ground state structure
11Slide12
CASSCF/6-31G(d)
Excited state potential energy surface
12Slide13
13
Excited state potential energy surfaceSlide14
14
Excited state potential energy surfaceSlide15
Energy relaxation on PES
15
MEP: minimum energy pathSlide16
Thank younairatmu@chemistry.msu.edu
We are looking for students!Dantus Research Group
Nairat,
M
.
et
al.,
Phys. Chem. Chem. Phys.
2017,
19,
14085Slide17
17
Fluorescence
Stimulated Emission