Spectral and computational studies in substituted pyrrolyl styryl ketones – Assessment of substituent effects

Rajalakshmi, R.; Chinnaraja, D.; Jayabharathi, Jayaraman

doi:10.1016/j.saa.2013.08.003

Cited by 5 publications

(3 citation statements)

References 19 publications

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“…This hypothesis has been well supported by the spectral data obtained by earlier workers [25,26]. The stretching frequencies of carbonyl absorptions are assigned based on the assignments made by earlier workers [27,28].…”

Section: Resultssupporting

confidence: 71%

Substituent Effect on the Infrared Spectra of Thiazolyl Styryl Ketone

Rajalakshmi¹,

Ramkumar²,

Arulmani³

2021

AJACR

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Section: Resultssupporting

confidence: 71%

Substituent Effect on the Infrared Spectra of Thiazolyl Styryl Ketone

Rajalakshmi¹,

Ramkumar²,

Arulmani³

2021

AJACR

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“…It is well known that substituents have a significant influence on reaction sites and reactivity. [30][31][32] This is bad news for synthetic chemists in some circumstances. First, because of the influence of the existing substituents, it is difficult to determine where the subsequent substituents attack.…”

Section: Introductionmentioning

confidence: 99%

A density functional theory study on the mechanism of simultaneous trifluoromethylation and oximation of aryl-substituted ethylenes

Wang

Lan

et al. 2022

Journal of Chemical Research

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The effects of different substituents, located at the para position of the aromatic ring and at the β-carbon atom of styrenes, on difunctionalizations involving trifluoromethylation and oxime formation are investigated, showing that the difunctionalization reaction has a good adaptability to such reactants containing a range of substituents. This is important in the actual production process. It was found that proton transfer in the final tautomerism step involving transformation of a nitroso intermediate into an oxime is the rate-limiting step. The solvent effect did not influence the rate-limiting step significantly. Compared with direct proton transfer in a vacuum, the energy barrier of the final tautomerism step decreased from 57.80 kcal mol−1 in vacuum to 12.98 kcal mol−1 in water occurring via mediated proton transfer, which declines by 77.5%. When water participates in the rate-limiting steps in organic solvents, the energy barrier also decreases significantly, which indicates that a small amount of water in the organic solvent is conducive to the reaction.

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“…These chromophores, which feature electron-donor and http://dx.doi.org/10.1016/j.saa.2015.05.085 1386-1425/Ó 2015 Elsevier B.V. All rights reserved. electron-acceptor groups connected via a p-conjugated spacer, are called donor-p-acceptor (D-p-A) systems [8]. Chalcones are classified into symmetrical and asymmetrical donor-acceptor-donor (D-A-D) systems based on the electron-donating substituents attached to the aromatic rings at the end of the carbonyl functional group: Symmetrical D-A-D chalcones contain electron donors on both phenyl rings, while asymmetrical D-A-D chalcones have electron donors at only one of the two phenyl rings [9].…”

Section: Introductionmentioning

confidence: 99%