Two-photon absorption in oxazole derivatives: An experimental and quantum chemical study

Silva, D.L.; Boni, Leonardo De; Corrêa, Daniel S.; Costa, Sheila C.S.; Hidalgo, A.; Zílio, Sérgio Carlos; Canuto, Sylvio; Mendonça, Cleber Renato

doi:10.1016/j.optmat.2011.12.009

Cited by 13 publications

(1 citation statement)

References 49 publications

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“…The DFT approach can be used to calculate the frontier orbits of conjugated molecules such as D-π-A-π-D and A-π-D-π-A, and to observe the degree of intramolecular charge transfer, so as to predict the two-photon absorption characteristics of the molecule [30,31] To probe into the electronic properties of molecules with different conjugation extension degrees, the theoretical calculations were carried out using the DFT approach, and the B3LYP functional and 6-31G(d, p) basis sets were used with Gaussian 09 [32]. Fo molecules with three different degrees of conjugation extension, the degree o intramolecular charge transfer and the frontier orbital energy were analyzed.…”

Section: Theory Calculationmentioning

confidence: 99%

D–π–A–π–D Initiators Based on Benzophenone Conjugate Extension for Two-Photon Polymerization Additive Manufacturing

Liu

Zhang

et al. 2022

Photonics

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A two-photon polymerization initiator is a kind of nonlinear optical material. With the demand for more efficient initiators in two-photon polymerization additive manufacturing, there are more and more related studies. In this paper, four conjugate-extended two-photon polymerization initiators with different alkane chain lengths were designed and synthesized, and single-photon, two-photon, and photodegradation experiments were carried out. Additive manufacturing experiments illustrated that the designed molecules can be used as two-photon initiators, and the writing speed can achieve 100,000 μm/s at a laser power of 25 mW. Through theoretical calculation and experimental comparison of the properties of molecules with different conjugation degrees, it was proven that a certain degree of conjugation extension can improve the initiation ability of molecules; however, this improvement cannot be extended infinitely. Solubility tests of different acrylates showed that molecules with different alkane chain lengths have varying solubility. Changing the molecular alkane chain length may be favorable to adapt to different monomers.

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Section: Theory Calculationmentioning

confidence: 99%

D–π–A–π–D Initiators Based on Benzophenone Conjugate Extension for Two-Photon Polymerization Additive Manufacturing

Liu

Zhang

et al. 2022

Photonics

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Influence of the methyl group at C=C bridging bond of stilbene on the longest wavelength maximum in ultraviolet absorption spectra

Zhang¹,

Cao²,

Zhang³

2017

J Phys Org Chem

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The compounds stilbenes XArCH=CHArY(XSBY) and 1,2-diphenylpropylenes XArC(Me)=CHArY(XSMBY) have bridging groups CH=CH and C(CH 3 )=CH, respectively, in which the C(CH 3 )=CH has a side-group CH 3 at the carbon-carbon double bond. A series of XSMBY were synthesized, and their longest wavelength maximum λ max (nm) in ultraviolet absorption spectra were measured in this work.We investigated the change regularity of the ν max (cm -1 , ν max = 1/λ max ) of XSMBY and compared it with that of XSBY. The results indicate that (1) there is no good linear relationship between the ν max of XSMBY and that of XSBY. (2) Because of the influence of the side-group CH 3 , in case of the same couple of groups X and Y, the λ max of XSMBY is shorter than that of XSBY, that is, it has a blue shift.(3) The cross-interaction between the side-group CH 3 and Y has an important effect on the ν max of XSMBY, while the cross-interaction between the side-group CH 3 and X has a little effect on the ν max and can be ignored. (4) The specific cross-interaction between X and Y has important effect on the ν max of XSMBY, whereas it has no important effect on the ν max of XSBY.

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1,3,4-Oxadiazoles

Walczak

Szczepankiewicz

2022

Comprehensive Heterocyclic Chemistry IV

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Two-photon absorption in oxazole derivatives: An experimental and quantum chemical study

Cited by 13 publications

References 49 publications

D–π–A–π–D Initiators Based on Benzophenone Conjugate Extension for Two-Photon Polymerization Additive Manufacturing

D–π–A–π–D Initiators Based on Benzophenone Conjugate Extension for Two-Photon Polymerization Additive Manufacturing

Influence of the methyl group at C=C bridging bond of stilbene on the longest wavelength maximum in ultraviolet absorption spectra

1,3,4-Oxadiazoles

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