One- and two-photon photochromism of 3,4-bis-(2,4,5-trimethyl-thiophen-3-yl)furan-2,5-dione

Corredor, Claudia C.; Belfield, Kevin D.; Bondar, Mykhailo V.; Przhonska, Olga V.; Hernández, Florencio E.; Kachkovsky, O.D.

doi:10.1016/j.jphotochem.2006.04.012

Cited by 26 publications

(17 citation statements)

References 28 publications

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“…The bond lengths are reported in Figure . Although the AM1 method provides the best performance/price ratio and was used for theoretical predictions earlier, , it is not parametrized for iodine and cannot be used for the PS 5 molecule.…”

Section: Methodsmentioning

confidence: 99%

Two-Photon Absorption Properties of New Fluorene-Based Singlet Oxygen Photosensitizers

et al. 2009

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The degenerate two-photon absorption (2PA) spectra of several fluorene-based photosensitizers (PS) in solution were obtained over a broad spectral range (460-880 nm) by open aperture Z-scan and two-photon fluorescence methods under either picosecond or femtosecond excitation, respectively. A maximum 2PA cross section of ca. 300 GM was observed for the photosensitizers containing a benzothiazole substituent in the fluorenyl 7-position. The electronic structures and 2PA properties of these PS were analyzed using a time-dependent density functional theory method, resulting in reasonably good agreement between experimental and theoretical data.

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Section: Methodsmentioning

confidence: 99%

Two-Photon Absorption Properties of New Fluorene-Based Singlet Oxygen Photosensitizers

et al. 2009

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“…The presence of the solvents with different polarity may affect the relative thermal stability as well as the ground- and excited-state electronic structures of open-ring isomers . Two of the most studied dithienylethene compounds are 2,3-bis(2,4,5-trimethylthiophene-3-yl)maleic anhydride ( 3 ) and 1,2-bis(2-methylbenzothiophene-3-yl)maleic anhydride ( 4 ). − The experimental measurements showed that the fluorescence spectra of the open-ring isomers in solution are highly dependent on the solvent polarity, while the absorption spectra were scarcely affected by the polarity of solvents. , …”

Section: Introductionmentioning

confidence: 99%

Solvent Effects on Isomerization and Spectral Properties of Photochromic-Switching Diarythene Derivatives in Polar and Apolar Solutions

Meng

2012

J. Phys. Chem. A

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The photocyclization behavior and dynamic conformational transition of photochromic switches of diarythene derivatives in solutions are investigated by using the density functional theory (DFT) and molecular dynamics (MD) simulations. Three possible conformations, antiparallel (anti), parallel (para), and twist, for the open-ring isomers of 1,2-bis(2-methylbenzothiophene-3-yl)maleic anhydride are located. Both PCM-B3LYP/6-31G* calculations and MD simulations demonstrate that anti and twist open-ring isomers can interconvert freely in n-hexane and acetonitrile solutions at room temperature. The statistical ratio of twist to anti isomers from MD simulations is 2.09 in n-hexane and 1.07 in CH(3)CN, in qualitative agreement with those (1.18 in n-hexane and 1.05 in CH(3)CN) estimated from Arrhenius analysis of DFT activation energies. The solvent polarity has little influence on the isomerization of open-ring isomers in the ground state. Due to the evident charge transfer upon excitations, the solvent effects on the electronic structures and absorption spectra of low-lying excited states (S(1) and S(2)) are more significant. For such charge-transfer excited states, the long-range corrected functional CAM-B3LYP gives better agreement with the experimental spectra than B3LYP. The solvent polarity and polarization of the charge-transfer excited states are crucial for fabricating the novel functionalized photochromic molecular switches.

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“…Dozens of approaches have been proposed thus far for the various AB reaction cases [8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44]. These methods met with varying success.…”

Section: Introductionmentioning

confidence: 99%

Useful Spectrokinetic Methods for the Investigation of Photochromic and Thermo-Photochromic Spiropyrans

Maafi

2008

Molecules

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This review reports on the main results of a set of kinetic elucidation methods developed by our team over the last few years. Formalisms, procedures and examples to solve all possible AB photochromic and thermophotochromic kinetics are presented. Also, discussions of the operating conditions, the continuous irradiation experiment, the spectrokinetic methods testing with numerical integration methods, and the identifiability/distinguishability problems, are included.

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One- and two-photon photochromism of 3,4-bis-(2,4,5-trimethyl-thiophen-3-yl)furan-2,5-dione

Cited by 26 publications

References 28 publications

Two-Photon Absorption Properties of New Fluorene-Based Singlet Oxygen Photosensitizers

Two-Photon Absorption Properties of New Fluorene-Based Singlet Oxygen Photosensitizers

Solvent Effects on Isomerization and Spectral Properties of Photochromic-Switching Diarythene Derivatives in Polar and Apolar Solutions

Useful Spectrokinetic Methods for the Investigation of Photochromic and Thermo-Photochromic Spiropyrans

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