The Experts below are selected from a list of 1749 Experts worldwide ranked by ideXlab platform
Thomas J. J. Müller - One of the best experts on this subject based on the ideXlab platform.
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bis 1 benzothieno 1 4 Thiazines planarity enhanced redox activity and luminescence by thieno expansion of phenoThiazine
Chemistry: A European Journal, 2019Co-Authors: Arno P. W. Schneeweis, Simone T. Hauer, Guido J. Reiss, Thomas J. J. MüllerAbstract:Twofold Buchwald-Hartwig aminations selectively furnish three regioisomers of bis[1]benzothieno[1,4]Thiazines; X-ray structure analyses and DFT calculations were corroborated for correlation of their electronic properties. All regioisomers outscore the parent compound phenoThiazine with respect to a low-lying oxidation potential and reversible redox activity. The anti-anti bis[1]benzothieno[3,2-b:2',3'-e][1,4]Thiazines possess the lowest oxidation potentials in this series and displayed pronounced green luminescence in solution (ΦF ≈20 %) and in the solid state. Syn-anti regioisomers were only weakly luminescent in solution, but showed aggregation-induced emission enhancement and solid-state luminescence. Most interestingly, X-ray structure analyses revealed that anti-anti derivatives have an amazingly coplanar structure of the pentacyclic anellated 1,4-Thiazine system, emphasizing a structural similarity to heteroacenes. The calculated theoretical nucleus-independent chemical shifts additionally suggested that these 8π-electron core systems can be considered as the first electronically unbiased anellated 1,4-Thiazines with antiaromatic character.
Arno P. W. Schneeweis - One of the best experts on this subject based on the ideXlab platform.
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bis 1 benzothieno 1 4 Thiazines planarity enhanced redox activity and luminescence by thieno expansion of phenoThiazine
Chemistry: A European Journal, 2019Co-Authors: Arno P. W. Schneeweis, Simone T. Hauer, Guido J. Reiss, Thomas J. J. MüllerAbstract:Twofold Buchwald-Hartwig aminations selectively furnish three regioisomers of bis[1]benzothieno[1,4]Thiazines; X-ray structure analyses and DFT calculations were corroborated for correlation of their electronic properties. All regioisomers outscore the parent compound phenoThiazine with respect to a low-lying oxidation potential and reversible redox activity. The anti-anti bis[1]benzothieno[3,2-b:2',3'-e][1,4]Thiazines possess the lowest oxidation potentials in this series and displayed pronounced green luminescence in solution (ΦF ≈20 %) and in the solid state. Syn-anti regioisomers were only weakly luminescent in solution, but showed aggregation-induced emission enhancement and solid-state luminescence. Most interestingly, X-ray structure analyses revealed that anti-anti derivatives have an amazingly coplanar structure of the pentacyclic anellated 1,4-Thiazine system, emphasizing a structural similarity to heteroacenes. The calculated theoretical nucleus-independent chemical shifts additionally suggested that these 8π-electron core systems can be considered as the first electronically unbiased anellated 1,4-Thiazines with antiaromatic character.
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Game of Isomers: Bifurcation in the Catalytic Formation of Bis[1]benzothieno[1,4]Thiazines with Conformation-Dependent Electronic Properties
2019Co-Authors: Arno P. W. Schneeweis, Simone T. Hauer, Daniel A. Lopez, Björn Von Dressler, Guido J. Reiss, Thomas J. J. MüllerAbstract:Two regioisomers of bis[1]benzothieno[1,4]Thiazine are unexpectedly obtained by tuning the catalytic conditions of the intermolecular–intramolecular Buchwald–Hartwig amination. Mechanistic insights and evidence of intermediates support a conclusive mechanistic rationale. Furthermore, a computationally based study on the influence of conformational aspects on the HOMO energy level of anellated 1,4-Thiazine paves the way to enhance the electronic properties, thus successfully achieving higher luminescent and easier oxidizable syn–syn bis[1]benzothieno[1,4]Thiazines
Adam Daïch - One of the best experts on this subject based on the ideXlab platform.
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phenyliodine iii diacetate i2 mediated domino approach for pyrrolo 1 4 Thiazines and 1 4 Thiazines by a one pot morin rearrangement of n s acetals
Chemistry: A European Journal, 2019Co-Authors: Fanny Danton, Mohamed Othman, Ata Martin Lawson, Ján Moncol, Alina Ghinet, Benoit Rigo, Adam DaïchAbstract:An efficient domino transformation using a phenyliodine(III) diacetate (PIDA)/I2 combination towards Morin 1,4-Thiazine compounds has been developed starting from N,S-acetals. The latter leads to "one-step" regioselective methylene insertion without the need for traditional sulfoxide intermediates in good yields. The reaction involves easily accessible N,S-acetals obtained from cost-effective basic ketones and cysteamine as starting materials. This process ultimately leads to 1,4-Thiazines related to natural product and fused derivatives necessary for further QSAR study.
Simone T. Hauer - One of the best experts on this subject based on the ideXlab platform.
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bis 1 benzothieno 1 4 Thiazines planarity enhanced redox activity and luminescence by thieno expansion of phenoThiazine
Chemistry: A European Journal, 2019Co-Authors: Arno P. W. Schneeweis, Simone T. Hauer, Guido J. Reiss, Thomas J. J. MüllerAbstract:Twofold Buchwald-Hartwig aminations selectively furnish three regioisomers of bis[1]benzothieno[1,4]Thiazines; X-ray structure analyses and DFT calculations were corroborated for correlation of their electronic properties. All regioisomers outscore the parent compound phenoThiazine with respect to a low-lying oxidation potential and reversible redox activity. The anti-anti bis[1]benzothieno[3,2-b:2',3'-e][1,4]Thiazines possess the lowest oxidation potentials in this series and displayed pronounced green luminescence in solution (ΦF ≈20 %) and in the solid state. Syn-anti regioisomers were only weakly luminescent in solution, but showed aggregation-induced emission enhancement and solid-state luminescence. Most interestingly, X-ray structure analyses revealed that anti-anti derivatives have an amazingly coplanar structure of the pentacyclic anellated 1,4-Thiazine system, emphasizing a structural similarity to heteroacenes. The calculated theoretical nucleus-independent chemical shifts additionally suggested that these 8π-electron core systems can be considered as the first electronically unbiased anellated 1,4-Thiazines with antiaromatic character.
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Game of Isomers: Bifurcation in the Catalytic Formation of Bis[1]benzothieno[1,4]Thiazines with Conformation-Dependent Electronic Properties
2019Co-Authors: Arno P. W. Schneeweis, Simone T. Hauer, Daniel A. Lopez, Björn Von Dressler, Guido J. Reiss, Thomas J. J. MüllerAbstract:Two regioisomers of bis[1]benzothieno[1,4]Thiazine are unexpectedly obtained by tuning the catalytic conditions of the intermolecular–intramolecular Buchwald–Hartwig amination. Mechanistic insights and evidence of intermediates support a conclusive mechanistic rationale. Furthermore, a computationally based study on the influence of conformational aspects on the HOMO energy level of anellated 1,4-Thiazine paves the way to enhance the electronic properties, thus successfully achieving higher luminescent and easier oxidizable syn–syn bis[1]benzothieno[1,4]Thiazines
Guido J. Reiss - One of the best experts on this subject based on the ideXlab platform.
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bis 1 benzothieno 1 4 Thiazines planarity enhanced redox activity and luminescence by thieno expansion of phenoThiazine
Chemistry: A European Journal, 2019Co-Authors: Arno P. W. Schneeweis, Simone T. Hauer, Guido J. Reiss, Thomas J. J. MüllerAbstract:Twofold Buchwald-Hartwig aminations selectively furnish three regioisomers of bis[1]benzothieno[1,4]Thiazines; X-ray structure analyses and DFT calculations were corroborated for correlation of their electronic properties. All regioisomers outscore the parent compound phenoThiazine with respect to a low-lying oxidation potential and reversible redox activity. The anti-anti bis[1]benzothieno[3,2-b:2',3'-e][1,4]Thiazines possess the lowest oxidation potentials in this series and displayed pronounced green luminescence in solution (ΦF ≈20 %) and in the solid state. Syn-anti regioisomers were only weakly luminescent in solution, but showed aggregation-induced emission enhancement and solid-state luminescence. Most interestingly, X-ray structure analyses revealed that anti-anti derivatives have an amazingly coplanar structure of the pentacyclic anellated 1,4-Thiazine system, emphasizing a structural similarity to heteroacenes. The calculated theoretical nucleus-independent chemical shifts additionally suggested that these 8π-electron core systems can be considered as the first electronically unbiased anellated 1,4-Thiazines with antiaromatic character.
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Game of Isomers: Bifurcation in the Catalytic Formation of Bis[1]benzothieno[1,4]Thiazines with Conformation-Dependent Electronic Properties
2019Co-Authors: Arno P. W. Schneeweis, Simone T. Hauer, Daniel A. Lopez, Björn Von Dressler, Guido J. Reiss, Thomas J. J. MüllerAbstract:Two regioisomers of bis[1]benzothieno[1,4]Thiazine are unexpectedly obtained by tuning the catalytic conditions of the intermolecular–intramolecular Buchwald–Hartwig amination. Mechanistic insights and evidence of intermediates support a conclusive mechanistic rationale. Furthermore, a computationally based study on the influence of conformational aspects on the HOMO energy level of anellated 1,4-Thiazine paves the way to enhance the electronic properties, thus successfully achieving higher luminescent and easier oxidizable syn–syn bis[1]benzothieno[1,4]Thiazines
