The electronic absorption spectrum of Anisole studied by photoabsorption spectroscopy and quantum chemical calculations

Shastri, Aparna; Das, Asim K.; Rajasekhar, B.N.

doi:10.1016/j.jqsrt.2019.106782

Cited by 9 publications

(1 citation statement)

References 42 publications

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“…Figure S2a shows steady-state UV–vis absorption spectra for DGEBA and DDM in the methanol solutions. Peaks at 230 and 283 nm for DGEBA were assignable to π–π* and 0–0 electronic transitions, respectively, and those at 243 and 288 nm for DDM were also assignable to π–π* and 0–0 electronic transitions, by comparing with the steady-state absorption spectra for anisole , and aniline Figure S2b shows UV–vis absorption spectra for neat DGEBA and DDM.…”

Section: Resultsmentioning

confidence: 99%

Electronic Interaction of Epoxy Resin with Copper at the Adhered Interface

Saeki,

Kawaguchi,

Tsuji

et al. 2024

Langmuir

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A better understanding of the aggregation states of adhesive molecules in the interfacial region with an adherend is crucial for controlling the adhesion strength and is of great inherent academic interest. The adhesion mechanism has been described through four theories: adsorption, mechanical, diffusion, and electronic. While interfacial characterization techniques have been developed to validate the aforementioned theories, that related to the electronic theory has not yet been thoroughly studied. We here directly detected the electronic interaction between a commonly used thermosetting adhesive, cured epoxy of diglycidyl ether of bisphenol A (DGEBA) and 4,4′-diaminodiphenylmethane (DDM), and copper (Cu). This study used a combination of density functional theory (DFT) calculations and femtosecond transient absorption spectroscopic (TAS) measurements as this epoxy adhesive-Cu pairing is extensively used in electronic device packaging. The DFT calculations predicted that π electrons in a DDM molecule adsorbed onto the Cu surface flowed out onto the Cu surface, resulting in a positive charge on the DDM. TAS measurements for the Cu/epoxy multilayer film, a model sample containing many metal/adhesive interfaces, revealed that the electronic states of excited DDM moieties at the Cu interface were different from those in the bulk region. These results were in good accordance with the prediction by DFT calculations. Thus, it can be concluded that TAS is applicable to characterize the electronic interaction of adhesives with metal adherends in a nondestructive manner.

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Section: Resultsmentioning

confidence: 99%

Electronic Interaction of Epoxy Resin with Copper at the Adhered Interface

Saeki,

Kawaguchi,

Tsuji

et al. 2024

Langmuir

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Tunneling dynamics dictated by the multidimensional conical intersection seam in the πσ*‐mediated photochemistry of heteroaromatic molecules

Kim

Woo

Kim

et al. 2021

Bulletin Korean Chem Soc

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The πσ*‐mediated photochemistry of heteroaromatic molecules has provoked the investigation of the conical intersection dynamics. The Born–Oppenheimer approximation fails at the conical intersection where the S1 (ππ*) and S2 (πσ*) states cross. The nonadiabatic transitions are much influenced by the nuclear configuration of the reactive flux particularly in the curve‐crossing region encountered along the reaction pathway. In this article, we focus on the tunneling dynamics of phenols and thiophenols. The O (S)H bond cleavage occurs via tunneling through the barrier which is dynamically shaped by the upper‐lying S1/S2 conical intersection in terms of the couplings at the individual branching planes as well as along the (3N‐8) dimensional seam coordinates. State‐specific tunneling rates and their interpretation are given for phenol, substituted phenols, thiophenol, ortho‐substituted thiophenols, and benzenediols including their 1:1 water clusters. The completely orthogonal modes to the tunneling coordinate are very critical in the dynamic shaping of the reaction barrier.

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Isolation of Natural Veratrylidenehydrazide Compound from Wedelia Biflora and Synthesis of Veratrylidenehydrazide Analogue: Investigation of Larvicidal Activity Against Culex Quinquefasciatus and Toxicity Analysis in Nontarget Aquatic Species

Mani,

Mullaivendhan,

Ahamed

et al. 2024

ChemistrySelect

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In this study, veratrylidenehydrazide was isolated from Wedelia biflora, and compounds (1a, 2a, and 3a–j) were synthesised to evaluate their larvicidal and antifeedant activities. Veratrylidenehydrazide 1a was verified using GC‐MS. The veratrylidenehydrazide analogues 2a and 3a–j were synthesised via a condensation method with yield range 71%–92%. The compounds (1a, 2a, and 3a–j) were synthesised and characterised through FT–IR, 1H NMR, 13C NMR, mass spectrometry, and elemental analysis. Veratrylidenehydrazide 1a was verified using GC‐MS analysis. Natural veratrylidenehydrazide compound 1a and the synthesised veratrylidenehydrazide analogues (2a, 3a–j) were screened for larvicidal activity against Culex quinquefasciatus. The larvicidal activity of compound 3g was found to be highly active, while low toxicity was observed against Oreochromis mossambicus nontarget aquatic species compared to natural veratrylidenehydrazide. Compound 3g exhibited a higher binding affinity (−8.8 kcal/mol) compared to standard of temephos (−4.5 kcal/mol), equipotential binding affinity against permethrin (−9.1 kcal/mol), and diflubenzuron (−8.5 kcal/mol). Lead molecules have larvicidal properties, and their use as insecticides makes them important.

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The electronic absorption spectrum of Anisole studied by photoabsorption spectroscopy and quantum chemical calculations

Cited by 9 publications

References 42 publications

Electronic Interaction of Epoxy Resin with Copper at the Adhered Interface

Electronic Interaction of Epoxy Resin with Copper at the Adhered Interface

Tunneling dynamics dictated by the multidimensional conical intersection seam in the πσ*‐mediated photochemistry of heteroaromatic molecules

Isolation of Natural Veratrylidenehydrazide Compound from Wedelia Biflora and Synthesis of Veratrylidenehydrazide Analogue: Investigation of Larvicidal Activity Against Culex Quinquefasciatus and Toxicity Analysis in Nontarget Aquatic Species

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