Untitled

Schroth, Werner; Spitzner, R.; Felicetti, Michael; Wagner, Christoph; Bruhn, Clemens

doi:10.1002/1099-0690(200009)2000:17<3093::aid-ejoc3093>3.3.co;2-b

Cited by 7 publications

(12 citation statements)

References 0 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…To minimize the computational effort during the initial stage of the project, simplifications were applied to BRA- n T. Replacement of the relatively large triarylamine system with a considerably smaller dimethyl(4-aminophenyl) group leads to model compounds 3 a – c (DMA- n T, n =1–3; Scheme 1), which were used as mimics to benchmark the applied computational techniques and parameters used within the calculations. Compound DMA-1T was previously characterized in 1998 when obtained as a byproduct during the synthesis of 1,2-dithiin derivatives 12. However, a reliable synthetic protocol has not been published so far.…”

Section: Resultsmentioning

confidence: 99%

Synthesis, Spectroscopy, and Computational Analysis of Photoluminescent Bis(aminophenyl)‐Substituted Thiophene Derivatives

et al. 2013

View full text Add to dashboard Cite

Substituted oligothiophenes have a long history in the field of organic electronics, as they often combine outstanding electro-optical properties with the ease of synthesis. To assist the rational selection of the most promising structures to be synthesized, there is the demand for tools that allow prediction of the properties of the materials. In this study, we present strategies for synthesis and computational characterization, with respect to the fluorescence behavior of oligothiophene-based materials for organoelectronic applications. In a combined approach, sophisticated computational methodologies are directly compared to experimental results. The M06-2X functional in combination with the polarizable continuum model in a state-specific formulation for excited-state solvation proved to be particularly reliable. In addition, a semiclassical approach for describing the vibrational broadening of the spectra is employed. As a result, a robust procedure for the prediction of the fluorescence spectra of oligothiophene derivatives is presented.

show abstract

Section: Resultsmentioning

confidence: 99%

Synthesis, Spectroscopy, and Computational Analysis of Photoluminescent Bis(aminophenyl)‐Substituted Thiophene Derivatives

et al. 2013

View full text Add to dashboard Cite

show abstract

“…As suggested by Thiemann, a mechanism for formation of the furan can be elaborated from the now well-documented mechanism for thiophene formation from dithiins. [21][22][23] Substituting oxygen for sulfur results in the pathway illustrated in Scheme 3. Although this varies from the Thiemann pathway shown in Scheme 1, it shares in common the key oxathiin intermediate.…”

Section: Resultsmentioning

confidence: 99%

“…Certainly troubling in both pathways is the unspecified mechanism for loss of sulfur in the final step, but this process is well documented for thiiranes. [21][22][23] Our primary interest was thus in the initial photochemical step(s) postulated to provide the isomers of 5.…”

Section: Resultsmentioning

confidence: 99%

See 1 more Smart Citation

Photochemistry of thiophene‐S‐oxide derivatives

Heying

Nag

Jenks

2008

J of Physical Organic Chem

View full text Add to dashboard Cite

Photolysis of substituted thiophene‐S‐oxides in solution results in the formation of either the corresponding thiophene or furan, in addition to uncharacterized materials. No good rationalization is available for the choice of which pathway may predominate, but it is demonstrated that the photolysis of 2,5‐bistrimethylsilylthiopene‐ S‐oxide produces O(3P) in the same manner as the well‐established photolysis of dibenzothiophene‐S‐oxide. Copyright © 2008 John Wiley & Sons, Ltd.

show abstract

“…1,4-Bis(sulfanyl)buta-1,3-dienes are usually synthesized by addition of thiols to diacetylene [14] and substituted diacetylenes [7,8,15] in the presence of a base or by reaction of 1,4-dilithiobuta-1,3-diene with disulfides or thiols [7,16]. Nucleophilic replacement of halogen in polyhalobutadienes by thiols in alkaline medium was also reported [17][18][19].…”

mentioning

confidence: 99%

10.1007/s11178-008-1002-2

2010

CrossRef Listing of Deleted DOIs

View full text Add to dashboard Cite

Cross-coupling of 1,4-diiodobuta-1,3-dienes with thiols in the presence of Pd, Ni, and Cu complexes gives 1,4-bis[aryl(alkyl)sulfanyl]buta-1,3-dienes in high yields.α,ω-Bis(R-sulfanyl)alkadienes are poorly explored and difficultly accessible compounds. On the other hand, their use in the synthesis of functionally substituted carbo-[1, 2] and heterocyclic derivatives [3-5] has been reported. Buta-1,3-diene-1,4-dithiols are precursors of important analogs of naturally occurring compounds such as thiarubrines (1,2-dithiine derivatives) [6-8] that exhibit a broad spectrum of biological activity, including antiviral [9], antibacterial [10,11], and antitumor action [12]; they also showed a considerable anti-HIV-1 effect [13].

show abstract

Untitled

Cited by 7 publications

References 0 publications

Synthesis, Spectroscopy, and Computational Analysis of Photoluminescent Bis(aminophenyl)‐Substituted Thiophene Derivatives

Synthesis, Spectroscopy, and Computational Analysis of Photoluminescent Bis(aminophenyl)‐Substituted Thiophene Derivatives

Photochemistry of thiophene‐S‐oxide derivatives

10.1007/s11178-008-1002-2

Contact Info

Product

Resources

About