Photophysics of chlorin e6: from one- and two-photon absorption to fluorescence and phosphorescence

被引:41
作者
Gattuso, Hugo [1 ,2 ]
Monari, Antonio [1 ,2 ]
Marazzi, Marco [1 ,2 ]
机构
[1] Univ Lorraine Nancy, Theory Modeling Simulat SRSMC, Vandoeuvre Les Nancy, France
[2] CNRS, Theory Modeling Simulat SRSMC, Vandoeuvre Les Nancy, France
关键词
DENSITY-FUNCTIONAL THEORY; CONSISTENT-FIELD METHOD; PHOTODYNAMIC THERAPY; SINGLET OXYGEN; FORCE-FIELD; EXCITED-STATES; WATER SOLUTION; NILE BLUE; DNA; PHOTOSENSITIZERS;
D O I
10.1039/c6ra28616j
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
We present the study of optical and photophysical properties of chlorin e6, a known photosensitizer producing singlet oxygen. The linear and non-linear optical properties have been studied taking into account the dynamical and vibrational effects both by using Wigner distribution or coupling with molecular dynamics. A force field correctly describing the out-of-plane vibrations has been properly parameterized. The photophysical study revealed a possible efficient population of the triplet manifold, from the S-1 minimum region. Hence, fluorescence and singlet oxygen production are shown to coexist. Two-photon absorption high cross-section and far infrared absorption also suggest the possible use of chlorin e6 as an efficient sensitizer in two-photon absorption based phototherapy.
引用
收藏
页码:10992 / 10999
页数:8
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